USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 670 GLN : amide:sc= -0.764 K(o=1.1,f=-0.071!) USER MOD Set 1.2: A 692 THR OG1 : rot -148:sc= 0.699 USER MOD Set 1.3: A 707 GLN : amide:sc= 0.644 K(o=1.1,f=-1.6) USER MOD Set 1.4: A 715 ASN : amide:sc= 0.554 K(o=1.1,f=-2.3) USER MOD Set 2.1: A 620 LYS NZ :NH3+ -178:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 706 TYR OH : rot 30:sc= 1.11 USER MOD Set 3.1: A 663 SER OG : rot 153:sc= 1.01 USER MOD Set 3.2: A 672 THR OG1 : rot -174:sc= 0.806 USER MOD Set 4.1: A 644 GLN : amide:sc= 0.382 K(o=1.3,f=0.54) USER MOD Set 4.2: A 714 TYR OH : rot -140:sc= 0.933 USER MOD Set 5.1: A 640 SER OG : rot 82:sc= 0.801 USER MOD Set 5.2: A 654 ASN : amide:sc= 1.14 K(o=1.9,f=-2.8) USER MOD Set 6.1: A 587 THR OG1 : rot 119:sc= 1.95 USER MOD Set 6.2: A 598 GLN : amide:sc= -1.27 K(o=0.68,f=1.2) USER MOD Single : A 591 ASN : amide:sc= -0.0722 K(o=-0.072,f=-3.1!) USER MOD Single : A 593 THR OG1 : rot -28:sc= 0.788 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 609 THR OG1 : rot 176:sc= -0.816 USER MOD Single : A 610 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 614 TYR OH : rot 25:sc= 1.31 USER MOD Single : A 615 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.909) USER MOD Single : A 618 THR OG1 : rot -42:sc= 1.48 USER MOD Single : A 621 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.5!) USER MOD Single : A 626 ASN : amide:sc= 2.16 K(o=2.2,f=-6.4!) USER MOD Single : A 632 SER OG : rot 76:sc= 0.981 USER MOD Single : A 646 SER OG : rot 140:sc= 0.935 USER MOD Single : A 648 SER OG : rot -170:sc= -0.261 USER MOD Single : A 651 LYS NZ :NH3+ 166:sc= -0.0194 (180deg=-0.272) USER MOD Single : A 652 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot -74:sc= 0.323 USER MOD Single : A 659 ASN : amide:sc= -0.79 K(o=-0.79,f=-4.6!) USER MOD Single : A 661 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.534) USER MOD Single : A 664 TYR OH : rot 69:sc= 0.807 USER MOD Single : A 665 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl 174:sc= -0.423 (180deg=-0.488) USER MOD Single : A 673 TYR OH : rot 154:sc= 1.27 USER MOD Single : A 677 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 679 TYR OH : rot 9:sc= -3.92! USER MOD Single : A 680 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 681 ASN : amide:sc= -0.0928 K(o=-0.093,f=-8.8!) USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 THR OG1 : rot 180:sc= 0 USER MOD Single : A 689 THR OG1 : rot -50:sc= -1.94! USER MOD Single : A 712 SER OG : rot -25:sc= 0.0861 USER MOD Single : A 713 THR OG1 : rot 180:sc= 0 USER MOD Single : A 719 TYR OH : rot 180:sc= 0.691 USER MOD Single : A 720 THR OG1 : rot 130:sc= 1.57 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 586 10.430 -8.547 11.236 1.00 44.14 N ATOM 115 CA ARG A 586 9.593 -8.383 10.092 1.00 13.15 C ATOM 116 C ARG A 586 10.414 -8.753 8.873 1.00 71.31 C ATOM 117 O ARG A 586 11.459 -8.149 8.629 1.00 74.44 O ATOM 118 CB ARG A 586 9.189 -6.905 10.023 1.00 51.13 C ATOM 119 CG ARG A 586 8.294 -6.514 8.867 1.00 0.41 C ATOM 120 CD ARG A 586 8.014 -5.016 8.901 1.00 14.52 C ATOM 121 NE ARG A 586 9.247 -4.215 8.758 1.00 23.21 N ATOM 122 CZ ARG A 586 9.429 -2.975 9.272 1.00 52.22 C ATOM 123 NH1 ARG A 586 8.487 -2.411 10.037 1.00 54.10 N ATOM 124 NH2 ARG A 586 10.562 -2.323 9.040 1.00 23.41 N ATOM 0 HA ARG A 586 8.701 -9.007 10.141 1.00 13.15 H new ATOM 0 HB2 ARG A 586 8.683 -6.644 10.952 1.00 51.13 H new ATOM 0 HB3 ARG A 586 10.096 -6.303 9.974 1.00 51.13 H new ATOM 0 HG2 ARG A 586 8.769 -6.781 7.923 1.00 0.41 H new ATOM 0 HG3 ARG A 586 7.357 -7.068 8.920 1.00 0.41 H new ATOM 0 HD2 ARG A 586 7.321 -4.759 8.100 1.00 14.52 H new ATOM 0 HD3 ARG A 586 7.524 -4.761 9.841 1.00 14.52 H new ATOM 0 HE ARG A 586 10.019 -4.626 8.233 1.00 23.21 H new ATOM 0 HH11 ARG A 586 7.623 -2.915 10.237 1.00 54.10 H new ATOM 0 HH12 ARG A 586 8.633 -1.477 10.420 1.00 54.10 H new ATOM 0 HH21 ARG A 586 11.293 -2.756 8.476 1.00 23.41 H new ATOM 0 HH22 ARG A 586 10.701 -1.389 9.426 1.00 23.41 H new ATOM 136 N THR A 587 9.982 -9.735 8.145 1.00 45.21 N ATOM 137 CA THR A 587 10.690 -10.181 6.961 1.00 15.33 C ATOM 138 C THR A 587 10.168 -9.444 5.724 1.00 21.30 C ATOM 139 O THR A 587 8.966 -9.245 5.589 1.00 64.21 O ATOM 140 CB THR A 587 10.529 -11.706 6.764 1.00 23.31 C ATOM 141 OG1 THR A 587 10.984 -12.402 7.937 1.00 14.52 O ATOM 142 CG2 THR A 587 11.329 -12.173 5.558 1.00 52.14 C ATOM 0 H THR A 587 9.129 -10.258 8.345 1.00 45.21 H new ATOM 0 HA THR A 587 11.748 -9.957 7.095 1.00 15.33 H new ATOM 0 HB THR A 587 9.474 -11.924 6.597 1.00 23.31 H new ATOM 0 HG1 THR A 587 10.240 -12.907 8.327 1.00 14.52 H new ATOM 0 HG21 THR A 587 11.205 -13.249 5.433 1.00 52.14 H new ATOM 0 HG22 THR A 587 10.973 -11.661 4.664 1.00 52.14 H new ATOM 0 HG23 THR A 587 12.384 -11.945 5.711 1.00 52.14 H new ATOM 148 N GLU A 588 11.058 -9.005 4.851 1.00 0.30 N ATOM 149 CA GLU A 588 10.628 -8.339 3.642 1.00 53.20 C ATOM 150 C GLU A 588 10.788 -9.243 2.422 1.00 54.33 C ATOM 151 O GLU A 588 11.742 -10.025 2.324 1.00 20.51 O ATOM 152 CB GLU A 588 11.363 -6.999 3.411 1.00 23.42 C ATOM 153 CG GLU A 588 12.878 -7.114 3.260 1.00 42.23 C ATOM 154 CD GLU A 588 13.521 -5.808 2.841 1.00 73.45 C ATOM 155 OE1 GLU A 588 13.649 -5.564 1.618 1.00 11.23 O ATOM 156 OE2 GLU A 588 13.910 -5.009 3.714 1.00 65.32 O ATOM 0 H GLU A 588 12.068 -9.097 4.957 1.00 0.30 H new ATOM 0 HA GLU A 588 9.570 -8.115 3.777 1.00 53.20 H new ATOM 0 HB2 GLU A 588 10.958 -6.529 2.515 1.00 23.42 H new ATOM 0 HB3 GLU A 588 11.145 -6.333 4.246 1.00 23.42 H new ATOM 0 HG2 GLU A 588 13.310 -7.441 4.206 1.00 42.23 H new ATOM 0 HG3 GLU A 588 13.109 -7.882 2.522 1.00 42.23 H new ATOM 163 N GLY A 589 9.839 -9.151 1.530 1.00 1.13 N ATOM 164 CA GLY A 589 9.899 -9.844 0.278 1.00 12.44 C ATOM 165 C GLY A 589 10.165 -8.852 -0.821 1.00 25.14 C ATOM 166 O GLY A 589 10.508 -7.699 -0.532 1.00 34.41 O ATOM 0 H GLY A 589 8.998 -8.588 1.656 1.00 1.13 H new ATOM 0 HA2 GLY A 589 10.686 -10.598 0.303 1.00 12.44 H new ATOM 0 HA3 GLY A 589 8.961 -10.368 0.093 1.00 12.44 H new ATOM 170 N ASP A 590 9.997 -9.247 -2.053 1.00 23.04 N ATOM 171 CA ASP A 590 10.288 -8.351 -3.161 1.00 31.04 C ATOM 172 C ASP A 590 9.291 -8.569 -4.282 1.00 4.21 C ATOM 173 O ASP A 590 8.848 -9.695 -4.503 1.00 44.40 O ATOM 174 CB ASP A 590 11.724 -8.577 -3.662 1.00 51.33 C ATOM 175 CG ASP A 590 12.144 -7.617 -4.757 1.00 24.53 C ATOM 176 OD1 ASP A 590 12.666 -6.518 -4.436 1.00 60.32 O ATOM 177 OD2 ASP A 590 11.992 -7.942 -5.935 1.00 23.21 O ATOM 0 H ASP A 590 9.664 -10.172 -2.324 1.00 23.04 H new ATOM 0 HA ASP A 590 10.201 -7.321 -2.816 1.00 31.04 H new ATOM 0 HB2 ASP A 590 12.412 -8.480 -2.822 1.00 51.33 H new ATOM 0 HB3 ASP A 590 11.814 -9.598 -4.032 1.00 51.33 H new ATOM 182 N ASN A 591 8.910 -7.486 -4.944 1.00 4.04 N ATOM 183 CA ASN A 591 7.967 -7.499 -6.076 1.00 73.51 C ATOM 184 C ASN A 591 6.650 -8.205 -5.821 1.00 24.03 C ATOM 185 O ASN A 591 6.448 -9.344 -6.240 1.00 12.13 O ATOM 186 CB ASN A 591 8.601 -7.898 -7.421 1.00 3.11 C ATOM 187 CG ASN A 591 9.551 -6.838 -7.977 1.00 51.21 C ATOM 188 OD1 ASN A 591 9.372 -5.623 -7.754 1.00 61.10 O ATOM 189 ND2 ASN A 591 10.544 -7.268 -8.703 1.00 3.44 N ATOM 0 H ASN A 591 9.248 -6.552 -4.713 1.00 4.04 H new ATOM 0 HA ASN A 591 7.698 -6.447 -6.168 1.00 73.51 H new ATOM 0 HB2 ASN A 591 9.145 -8.834 -7.295 1.00 3.11 H new ATOM 0 HB3 ASN A 591 7.810 -8.084 -8.147 1.00 3.11 H new ATOM 0 HD21 ASN A 591 11.204 -6.604 -9.109 1.00 3.44 H new ATOM 0 HD22 ASN A 591 10.661 -8.268 -8.866 1.00 3.44 H new ATOM 195 N CYS A 592 5.784 -7.533 -5.054 1.00 43.54 N ATOM 196 CA CYS A 592 4.398 -7.970 -4.781 1.00 72.42 C ATOM 197 C CYS A 592 4.297 -9.320 -4.068 1.00 33.54 C ATOM 198 O CYS A 592 3.197 -9.882 -3.933 1.00 72.33 O ATOM 199 CB CYS A 592 3.576 -8.001 -6.067 1.00 73.25 C ATOM 200 SG CYS A 592 3.380 -6.398 -6.923 1.00 54.53 S ATOM 0 H CYS A 592 6.025 -6.655 -4.595 1.00 43.54 H new ATOM 0 HA CYS A 592 3.991 -7.227 -4.095 1.00 72.42 H new ATOM 0 HB2 CYS A 592 4.041 -8.705 -6.757 1.00 73.25 H new ATOM 0 HB3 CYS A 592 2.585 -8.391 -5.834 1.00 73.25 H new ATOM 205 N THR A 593 5.400 -9.824 -3.569 1.00 11.44 N ATOM 206 CA THR A 593 5.382 -11.082 -2.891 1.00 51.02 C ATOM 207 C THR A 593 6.107 -10.951 -1.584 1.00 21.45 C ATOM 208 O THR A 593 7.029 -10.140 -1.454 1.00 21.12 O ATOM 209 CB THR A 593 6.015 -12.233 -3.737 1.00 34.30 C ATOM 210 OG1 THR A 593 7.371 -11.920 -4.083 1.00 61.32 O ATOM 211 CG2 THR A 593 5.224 -12.500 -5.008 1.00 23.32 C ATOM 0 H THR A 593 6.316 -9.378 -3.623 1.00 11.44 H new ATOM 0 HA THR A 593 4.339 -11.349 -2.723 1.00 51.02 H new ATOM 0 HB THR A 593 5.992 -13.131 -3.120 1.00 34.30 H new ATOM 0 HG1 THR A 593 7.479 -10.947 -4.134 1.00 61.32 H new ATOM 0 HG21 THR A 593 5.697 -13.307 -5.568 1.00 23.32 H new ATOM 0 HG22 THR A 593 4.205 -12.787 -4.749 1.00 23.32 H new ATOM 0 HG23 THR A 593 5.203 -11.598 -5.620 1.00 23.32 H new ATOM 217 N VAL A 594 5.686 -11.705 -0.618 1.00 64.14 N ATOM 218 CA VAL A 594 6.317 -11.703 0.654 1.00 42.02 C ATOM 219 C VAL A 594 6.517 -13.112 1.141 1.00 3.20 C ATOM 220 O VAL A 594 5.606 -13.926 1.105 1.00 55.01 O ATOM 221 CB VAL A 594 5.548 -10.833 1.689 1.00 22.33 C ATOM 222 CG1 VAL A 594 4.071 -11.189 1.736 1.00 42.33 C ATOM 223 CG2 VAL A 594 6.161 -10.956 3.063 1.00 20.42 C ATOM 0 H VAL A 594 4.891 -12.340 -0.695 1.00 64.14 H new ATOM 0 HA VAL A 594 7.298 -11.242 0.540 1.00 42.02 H new ATOM 0 HB VAL A 594 5.632 -9.797 1.362 1.00 22.33 H new ATOM 0 HG11 VAL A 594 3.568 -10.560 2.471 1.00 42.33 H new ATOM 0 HG12 VAL A 594 3.626 -11.027 0.754 1.00 42.33 H new ATOM 0 HG13 VAL A 594 3.958 -12.236 2.017 1.00 42.33 H new ATOM 0 HG21 VAL A 594 5.604 -10.338 3.767 1.00 20.42 H new ATOM 0 HG22 VAL A 594 6.124 -11.996 3.386 1.00 20.42 H new ATOM 0 HG23 VAL A 594 7.198 -10.623 3.030 1.00 20.42 H new ATOM 229 N PHE A 595 7.712 -13.401 1.545 1.00 52.05 N ATOM 230 CA PHE A 595 8.058 -14.685 2.045 1.00 52.03 C ATOM 231 C PHE A 595 8.838 -14.515 3.319 1.00 31.03 C ATOM 232 O PHE A 595 9.737 -13.691 3.389 1.00 33.44 O ATOM 233 CB PHE A 595 8.842 -15.506 0.986 1.00 73.32 C ATOM 234 CG PHE A 595 10.104 -14.843 0.452 1.00 42.55 C ATOM 235 CD1 PHE A 595 10.049 -14.003 -0.654 1.00 14.30 C ATOM 236 CD2 PHE A 595 11.332 -15.068 1.052 1.00 23.54 C ATOM 237 CE1 PHE A 595 11.194 -13.403 -1.143 1.00 41.20 C ATOM 238 CE2 PHE A 595 12.478 -14.472 0.567 1.00 34.01 C ATOM 239 CZ PHE A 595 12.409 -13.637 -0.532 1.00 73.52 C ATOM 0 H PHE A 595 8.486 -12.737 1.535 1.00 52.05 H new ATOM 0 HA PHE A 595 7.152 -15.251 2.262 1.00 52.03 H new ATOM 0 HB2 PHE A 595 9.113 -16.467 1.423 1.00 73.32 H new ATOM 0 HB3 PHE A 595 8.178 -15.714 0.147 1.00 73.32 H new ATOM 0 HD1 PHE A 595 9.101 -13.817 -1.137 1.00 14.30 H new ATOM 0 HD2 PHE A 595 11.393 -15.719 1.912 1.00 23.54 H new ATOM 0 HE1 PHE A 595 11.138 -12.752 -2.003 1.00 41.20 H new ATOM 0 HE2 PHE A 595 13.428 -14.658 1.046 1.00 34.01 H new ATOM 0 HZ PHE A 595 13.305 -13.168 -0.912 1.00 73.52 H new ATOM 249 N ASP A 596 8.473 -15.255 4.324 1.00 51.51 N ATOM 250 CA ASP A 596 9.157 -15.190 5.593 1.00 52.13 C ATOM 251 C ASP A 596 10.042 -16.368 5.681 1.00 44.33 C ATOM 252 O ASP A 596 9.574 -17.496 5.694 1.00 3.20 O ATOM 253 CB ASP A 596 8.179 -15.215 6.762 1.00 23.11 C ATOM 254 CG ASP A 596 8.882 -14.974 8.082 1.00 51.22 C ATOM 255 OD1 ASP A 596 9.469 -15.904 8.629 1.00 60.34 O ATOM 256 OD2 ASP A 596 8.873 -13.840 8.568 1.00 33.11 O ATOM 0 H ASP A 596 7.699 -15.918 4.294 1.00 51.51 H new ATOM 0 HA ASP A 596 9.717 -14.257 5.650 1.00 52.13 H new ATOM 0 HB2 ASP A 596 7.413 -14.454 6.613 1.00 23.11 H new ATOM 0 HB3 ASP A 596 7.670 -16.178 6.791 1.00 23.11 H new ATOM 261 N SER A 597 11.310 -16.115 5.734 1.00 35.53 N ATOM 262 CA SER A 597 12.295 -17.148 5.758 1.00 13.04 C ATOM 263 C SER A 597 12.220 -17.994 7.039 1.00 33.34 C ATOM 264 O SER A 597 12.490 -19.186 7.010 1.00 14.13 O ATOM 265 CB SER A 597 13.670 -16.513 5.609 1.00 33.10 C ATOM 266 OG SER A 597 13.727 -15.709 4.429 1.00 14.31 O ATOM 0 H SER A 597 11.696 -15.171 5.762 1.00 35.53 H new ATOM 0 HA SER A 597 12.105 -17.829 4.929 1.00 13.04 H new ATOM 0 HB2 SER A 597 13.891 -15.901 6.484 1.00 33.10 H new ATOM 0 HB3 SER A 597 14.433 -17.290 5.563 1.00 33.10 H new ATOM 0 HG SER A 597 14.617 -15.307 4.350 1.00 14.31 H new ATOM 272 N GLN A 598 11.811 -17.386 8.140 1.00 53.23 N ATOM 273 CA GLN A 598 11.829 -18.079 9.403 1.00 34.12 C ATOM 274 C GLN A 598 10.601 -18.974 9.562 1.00 65.24 C ATOM 275 O GLN A 598 10.701 -20.105 10.027 1.00 73.10 O ATOM 276 CB GLN A 598 11.962 -17.117 10.599 1.00 2.32 C ATOM 277 CG GLN A 598 13.093 -16.083 10.483 1.00 63.22 C ATOM 278 CD GLN A 598 12.629 -14.750 9.892 1.00 64.52 C ATOM 279 OE1 GLN A 598 12.235 -13.852 10.637 1.00 21.01 O ATOM 280 NE2 GLN A 598 12.658 -14.600 8.586 1.00 54.10 N ATOM 0 H GLN A 598 11.468 -16.426 8.179 1.00 53.23 H new ATOM 0 HA GLN A 598 12.717 -18.711 9.398 1.00 34.12 H new ATOM 0 HB2 GLN A 598 11.018 -16.587 10.725 1.00 2.32 H new ATOM 0 HB3 GLN A 598 12.120 -17.706 11.503 1.00 2.32 H new ATOM 0 HG2 GLN A 598 13.519 -15.907 11.471 1.00 63.22 H new ATOM 0 HG3 GLN A 598 13.889 -16.492 9.861 1.00 63.22 H new ATOM 0 HE21 GLN A 598 12.989 -15.361 7.993 1.00 54.10 H new ATOM 0 HE22 GLN A 598 12.349 -13.723 8.166 1.00 54.10 H new ATOM 288 N ALA A 599 9.451 -18.455 9.183 1.00 23.21 N ATOM 289 CA ALA A 599 8.200 -19.187 9.293 1.00 74.21 C ATOM 290 C ALA A 599 7.944 -20.037 8.062 1.00 11.33 C ATOM 291 O ALA A 599 7.108 -20.949 8.091 1.00 64.02 O ATOM 292 CB ALA A 599 7.046 -18.215 9.494 1.00 40.22 C ATOM 0 H ALA A 599 9.354 -17.518 8.791 1.00 23.21 H new ATOM 0 HA ALA A 599 8.276 -19.851 10.154 1.00 74.21 H new ATOM 0 HB1 ALA A 599 6.112 -18.771 9.576 1.00 40.22 H new ATOM 0 HB2 ALA A 599 7.208 -17.642 10.407 1.00 40.22 H new ATOM 0 HB3 ALA A 599 6.991 -17.535 8.644 1.00 40.22 H new ATOM 298 N GLY A 600 8.645 -19.729 6.987 1.00 55.21 N ATOM 299 CA GLY A 600 8.501 -20.487 5.757 1.00 74.12 C ATOM 300 C GLY A 600 7.155 -20.250 5.123 1.00 14.11 C ATOM 301 O GLY A 600 6.536 -21.166 4.593 1.00 21.42 O ATOM 0 H GLY A 600 9.317 -18.963 6.940 1.00 55.21 H new ATOM 0 HA2 GLY A 600 9.289 -20.205 5.059 1.00 74.12 H new ATOM 0 HA3 GLY A 600 8.625 -21.550 5.965 1.00 74.12 H new ATOM 305 N PHE A 601 6.706 -19.026 5.175 1.00 24.43 N ATOM 306 CA PHE A 601 5.402 -18.675 4.671 1.00 54.52 C ATOM 307 C PHE A 601 5.554 -17.713 3.506 1.00 70.51 C ATOM 308 O PHE A 601 6.416 -16.848 3.536 1.00 33.02 O ATOM 309 CB PHE A 601 4.575 -18.047 5.801 1.00 22.55 C ATOM 310 CG PHE A 601 3.167 -17.707 5.424 1.00 2.25 C ATOM 311 CD1 PHE A 601 2.186 -18.687 5.421 1.00 41.51 C ATOM 312 CD2 PHE A 601 2.822 -16.417 5.076 1.00 31.11 C ATOM 313 CE1 PHE A 601 0.889 -18.380 5.077 1.00 42.31 C ATOM 314 CE2 PHE A 601 1.532 -16.104 4.732 1.00 62.21 C ATOM 315 CZ PHE A 601 0.560 -17.086 4.732 1.00 0.22 C ATOM 0 H PHE A 601 7.230 -18.244 5.567 1.00 24.43 H new ATOM 0 HA PHE A 601 4.883 -19.565 4.316 1.00 54.52 H new ATOM 0 HB2 PHE A 601 4.555 -18.736 6.646 1.00 22.55 H new ATOM 0 HB3 PHE A 601 5.076 -17.140 6.140 1.00 22.55 H new ATOM 0 HD1 PHE A 601 2.442 -19.701 5.691 1.00 41.51 H new ATOM 0 HD2 PHE A 601 3.577 -15.645 5.075 1.00 31.11 H new ATOM 0 HE1 PHE A 601 0.132 -19.150 5.077 1.00 42.31 H new ATOM 0 HE2 PHE A 601 1.276 -15.090 4.461 1.00 62.21 H new ATOM 0 HZ PHE A 601 -0.456 -16.840 4.462 1.00 0.22 H new ATOM 325 N SER A 602 4.722 -17.859 2.505 1.00 53.13 N ATOM 326 CA SER A 602 4.811 -17.045 1.318 1.00 65.41 C ATOM 327 C SER A 602 3.434 -16.522 0.916 1.00 3.14 C ATOM 328 O SER A 602 2.465 -17.269 0.922 1.00 71.23 O ATOM 329 CB SER A 602 5.424 -17.892 0.197 1.00 63.24 C ATOM 330 OG SER A 602 4.700 -19.124 0.039 1.00 33.23 O ATOM 0 H SER A 602 3.966 -18.543 2.490 1.00 53.13 H new ATOM 0 HA SER A 602 5.442 -16.177 1.510 1.00 65.41 H new ATOM 0 HB2 SER A 602 5.409 -17.333 -0.738 1.00 63.24 H new ATOM 0 HB3 SER A 602 6.469 -18.105 0.424 1.00 63.24 H new ATOM 0 HG SER A 602 5.104 -19.651 -0.682 1.00 33.23 H new ATOM 336 N PHE A 603 3.341 -15.249 0.594 1.00 32.41 N ATOM 337 CA PHE A 603 2.087 -14.685 0.178 1.00 34.31 C ATOM 338 C PHE A 603 2.289 -13.800 -1.043 1.00 60.15 C ATOM 339 O PHE A 603 3.383 -13.245 -1.254 1.00 21.41 O ATOM 340 CB PHE A 603 1.440 -13.882 1.288 1.00 22.41 C ATOM 341 CG PHE A 603 -0.057 -14.102 1.333 1.00 3.22 C ATOM 342 CD1 PHE A 603 -0.901 -13.504 0.412 1.00 11.41 C ATOM 343 CD2 PHE A 603 -0.603 -14.935 2.275 1.00 23.03 C ATOM 344 CE1 PHE A 603 -2.255 -13.733 0.441 1.00 23.13 C ATOM 345 CE2 PHE A 603 -1.953 -15.174 2.311 1.00 72.31 C ATOM 346 CZ PHE A 603 -2.783 -14.572 1.394 1.00 62.24 C ATOM 0 H PHE A 603 4.120 -14.591 0.614 1.00 32.41 H new ATOM 0 HA PHE A 603 1.422 -15.511 -0.074 1.00 34.31 H new ATOM 0 HB2 PHE A 603 1.879 -14.163 2.245 1.00 22.41 H new ATOM 0 HB3 PHE A 603 1.649 -12.822 1.141 1.00 22.41 H new ATOM 0 HD1 PHE A 603 -0.488 -12.848 -0.340 1.00 11.41 H new ATOM 0 HD2 PHE A 603 0.040 -15.411 3.000 1.00 23.03 H new ATOM 0 HE1 PHE A 603 -2.902 -13.257 -0.281 1.00 23.13 H new ATOM 0 HE2 PHE A 603 -2.365 -15.835 3.059 1.00 72.31 H new ATOM 0 HZ PHE A 603 -3.847 -14.758 1.422 1.00 62.24 H new ATOM 356 N ASP A 604 1.263 -13.695 -1.845 1.00 55.14 N ATOM 357 CA ASP A 604 1.285 -12.895 -3.063 1.00 24.12 C ATOM 358 C ASP A 604 0.129 -11.928 -3.041 1.00 50.22 C ATOM 359 O ASP A 604 -1.029 -12.341 -2.969 1.00 63.33 O ATOM 360 CB ASP A 604 1.162 -13.790 -4.294 1.00 11.42 C ATOM 361 CG ASP A 604 1.174 -13.013 -5.600 1.00 42.25 C ATOM 362 OD1 ASP A 604 0.113 -12.575 -6.065 1.00 50.01 O ATOM 363 OD2 ASP A 604 2.246 -12.841 -6.186 1.00 50.33 O ATOM 0 H ASP A 604 0.373 -14.164 -1.678 1.00 55.14 H new ATOM 0 HA ASP A 604 2.230 -12.354 -3.111 1.00 24.12 H new ATOM 0 HB2 ASP A 604 1.983 -14.507 -4.298 1.00 11.42 H new ATOM 0 HB3 ASP A 604 0.237 -14.363 -4.228 1.00 11.42 H new ATOM 368 N LEU A 605 0.426 -10.657 -3.088 1.00 1.32 N ATOM 369 CA LEU A 605 -0.611 -9.643 -3.041 1.00 22.54 C ATOM 370 C LEU A 605 -0.585 -8.789 -4.291 1.00 62.43 C ATOM 371 O LEU A 605 -1.053 -7.653 -4.297 1.00 34.33 O ATOM 372 CB LEU A 605 -0.540 -8.784 -1.747 1.00 13.33 C ATOM 373 CG LEU A 605 -0.819 -9.522 -0.410 1.00 2.24 C ATOM 374 CD1 LEU A 605 0.341 -10.390 0.039 1.00 64.22 C ATOM 375 CD2 LEU A 605 -1.231 -8.563 0.678 1.00 61.23 C ATOM 0 H LEU A 605 1.376 -10.292 -3.159 1.00 1.32 H new ATOM 0 HA LEU A 605 -1.571 -10.159 -3.009 1.00 22.54 H new ATOM 0 HB2 LEU A 605 0.452 -8.336 -1.689 1.00 13.33 H new ATOM 0 HB3 LEU A 605 -1.254 -7.966 -1.841 1.00 13.33 H new ATOM 0 HG LEU A 605 -1.655 -10.194 -0.605 1.00 2.24 H new ATOM 0 HD11 LEU A 605 0.086 -10.880 0.979 1.00 64.22 H new ATOM 0 HD12 LEU A 605 0.546 -11.145 -0.720 1.00 64.22 H new ATOM 0 HD13 LEU A 605 1.226 -9.770 0.181 1.00 64.22 H new ATOM 0 HD21 LEU A 605 -1.418 -9.116 1.599 1.00 61.23 H new ATOM 0 HD22 LEU A 605 -0.434 -7.838 0.845 1.00 61.23 H new ATOM 0 HD23 LEU A 605 -2.139 -8.041 0.378 1.00 61.23 H new ATOM 383 N THR A 606 -0.105 -9.388 -5.371 1.00 65.42 N ATOM 384 CA THR A 606 -0.040 -8.768 -6.668 1.00 40.14 C ATOM 385 C THR A 606 -1.424 -8.162 -7.132 1.00 2.04 C ATOM 386 O THR A 606 -1.457 -7.018 -7.615 1.00 71.20 O ATOM 387 CB THR A 606 0.476 -9.791 -7.696 1.00 51.13 C ATOM 388 OG1 THR A 606 1.746 -10.312 -7.250 1.00 53.12 O ATOM 389 CG2 THR A 606 0.661 -9.146 -9.042 1.00 40.11 C ATOM 0 H THR A 606 0.257 -10.342 -5.360 1.00 65.42 H new ATOM 0 HA THR A 606 0.651 -7.928 -6.597 1.00 40.14 H new ATOM 0 HB THR A 606 -0.256 -10.594 -7.786 1.00 51.13 H new ATOM 0 HG1 THR A 606 2.078 -10.965 -7.900 1.00 53.12 H new ATOM 0 HG21 THR A 606 1.026 -9.887 -9.753 1.00 40.11 H new ATOM 0 HG22 THR A 606 -0.293 -8.749 -9.389 1.00 40.11 H new ATOM 0 HG23 THR A 606 1.384 -8.334 -8.960 1.00 40.11 H new ATOM 395 N PRO A 607 -2.585 -8.902 -6.991 1.00 73.03 N ATOM 396 CA PRO A 607 -3.918 -8.375 -7.368 1.00 13.33 C ATOM 397 C PRO A 607 -4.331 -7.100 -6.603 1.00 44.34 C ATOM 398 O PRO A 607 -5.305 -6.445 -6.968 1.00 72.12 O ATOM 399 CB PRO A 607 -4.882 -9.524 -7.026 1.00 51.43 C ATOM 400 CG PRO A 607 -4.122 -10.400 -6.097 1.00 71.21 C ATOM 401 CD PRO A 607 -2.695 -10.306 -6.525 1.00 34.44 C ATOM 0 HA PRO A 607 -3.923 -8.077 -8.416 1.00 13.33 H new ATOM 0 HB2 PRO A 607 -5.793 -9.149 -6.559 1.00 51.43 H new ATOM 0 HB3 PRO A 607 -5.183 -10.066 -7.922 1.00 51.43 H new ATOM 0 HG2 PRO A 607 -4.243 -10.073 -5.064 1.00 71.21 H new ATOM 0 HG3 PRO A 607 -4.479 -11.429 -6.149 1.00 71.21 H new ATOM 0 HD2 PRO A 607 -2.011 -10.514 -5.702 1.00 34.44 H new ATOM 0 HD3 PRO A 607 -2.463 -11.015 -7.319 1.00 34.44 H new ATOM 409 N LEU A 608 -3.607 -6.750 -5.548 1.00 70.23 N ATOM 410 CA LEU A 608 -3.932 -5.572 -4.783 1.00 23.04 C ATOM 411 C LEU A 608 -3.306 -4.330 -5.390 1.00 71.45 C ATOM 412 O LEU A 608 -3.723 -3.223 -5.102 1.00 41.35 O ATOM 413 CB LEU A 608 -3.520 -5.697 -3.308 1.00 75.15 C ATOM 414 CG LEU A 608 -4.279 -6.703 -2.422 1.00 45.21 C ATOM 415 CD1 LEU A 608 -4.049 -8.129 -2.844 1.00 63.31 C ATOM 416 CD2 LEU A 608 -3.917 -6.507 -0.967 1.00 4.21 C ATOM 0 H LEU A 608 -2.796 -7.268 -5.210 1.00 70.23 H new ATOM 0 HA LEU A 608 -5.017 -5.476 -4.818 1.00 23.04 H new ATOM 0 HB2 LEU A 608 -2.463 -5.960 -3.279 1.00 75.15 H new ATOM 0 HB3 LEU A 608 -3.616 -4.712 -2.851 1.00 75.15 H new ATOM 0 HG LEU A 608 -5.343 -6.505 -2.550 1.00 45.21 H new ATOM 0 HD11 LEU A 608 -4.606 -8.797 -2.187 1.00 63.31 H new ATOM 0 HD12 LEU A 608 -4.388 -8.264 -3.871 1.00 63.31 H new ATOM 0 HD13 LEU A 608 -2.986 -8.361 -2.780 1.00 63.31 H new ATOM 0 HD21 LEU A 608 -4.463 -7.226 -0.356 1.00 4.21 H new ATOM 0 HD22 LEU A 608 -2.846 -6.658 -0.835 1.00 4.21 H new ATOM 0 HD23 LEU A 608 -4.181 -5.495 -0.659 1.00 4.21 H new ATOM 424 N THR A 609 -2.315 -4.521 -6.218 1.00 22.30 N ATOM 425 CA THR A 609 -1.636 -3.422 -6.862 1.00 71.23 C ATOM 426 C THR A 609 -2.496 -2.858 -8.007 1.00 34.30 C ATOM 427 O THR A 609 -3.099 -3.623 -8.772 1.00 23.42 O ATOM 428 CB THR A 609 -0.272 -3.899 -7.414 1.00 1.44 C ATOM 429 OG1 THR A 609 0.484 -4.472 -6.337 1.00 64.20 O ATOM 430 CG2 THR A 609 0.513 -2.742 -8.011 1.00 4.40 C ATOM 0 H THR A 609 -1.953 -5.441 -6.467 1.00 22.30 H new ATOM 0 HA THR A 609 -1.471 -2.633 -6.128 1.00 71.23 H new ATOM 0 HB THR A 609 -0.449 -4.635 -8.199 1.00 1.44 H new ATOM 0 HG1 THR A 609 1.327 -4.831 -6.684 1.00 64.20 H new ATOM 0 HG21 THR A 609 1.467 -3.107 -8.391 1.00 4.40 H new ATOM 0 HG22 THR A 609 -0.057 -2.299 -8.827 1.00 4.40 H new ATOM 0 HG23 THR A 609 0.692 -1.989 -7.243 1.00 4.40 H new ATOM 436 N LYS A 610 -2.575 -1.543 -8.098 1.00 35.52 N ATOM 437 CA LYS A 610 -3.290 -0.879 -9.175 1.00 32.52 C ATOM 438 C LYS A 610 -2.339 0.066 -9.852 1.00 40.12 C ATOM 439 O LYS A 610 -1.337 0.435 -9.273 1.00 23.31 O ATOM 440 CB LYS A 610 -4.461 -0.036 -8.652 1.00 53.01 C ATOM 441 CG LYS A 610 -5.543 -0.767 -7.886 1.00 11.34 C ATOM 442 CD LYS A 610 -6.703 0.181 -7.629 1.00 23.15 C ATOM 443 CE LYS A 610 -7.878 -0.495 -6.948 1.00 3.13 C ATOM 444 NZ LYS A 610 -9.006 0.446 -6.758 1.00 14.03 N ATOM 0 H LYS A 610 -2.146 -0.905 -7.428 1.00 35.52 H new ATOM 0 HA LYS A 610 -3.675 -1.647 -9.846 1.00 32.52 H new ATOM 0 HB2 LYS A 610 -4.056 0.743 -8.007 1.00 53.01 H new ATOM 0 HB3 LYS A 610 -4.926 0.463 -9.502 1.00 53.01 H new ATOM 0 HG2 LYS A 610 -5.885 -1.633 -8.453 1.00 11.34 H new ATOM 0 HG3 LYS A 610 -5.147 -1.140 -6.942 1.00 11.34 H new ATOM 0 HD2 LYS A 610 -6.358 1.009 -7.010 1.00 23.15 H new ATOM 0 HD3 LYS A 610 -7.034 0.607 -8.576 1.00 23.15 H new ATOM 0 HE2 LYS A 610 -8.208 -1.345 -7.546 1.00 3.13 H new ATOM 0 HE3 LYS A 610 -7.563 -0.888 -5.981 1.00 3.13 H new ATOM 0 HZ1 LYS A 610 -9.794 -0.046 -6.290 1.00 14.03 H new ATOM 0 HZ2 LYS A 610 -8.697 1.244 -6.167 1.00 14.03 H new ATOM 0 HZ3 LYS A 610 -9.321 0.802 -7.683 1.00 14.03 H new ATOM 458 N LYS A 611 -2.624 0.451 -11.065 1.00 51.13 N ATOM 459 CA LYS A 611 -1.819 1.465 -11.702 1.00 22.21 C ATOM 460 C LYS A 611 -2.206 2.832 -11.141 1.00 43.21 C ATOM 461 O LYS A 611 -1.359 3.668 -10.863 1.00 72.31 O ATOM 462 CB LYS A 611 -1.975 1.462 -13.227 1.00 23.35 C ATOM 463 CG LYS A 611 -1.093 2.505 -13.913 1.00 0.43 C ATOM 464 CD LYS A 611 -1.297 2.539 -15.409 1.00 51.33 C ATOM 465 CE LYS A 611 -0.386 3.571 -16.054 1.00 20.13 C ATOM 466 NZ LYS A 611 -0.581 3.653 -17.514 1.00 53.42 N ATOM 0 H LYS A 611 -3.393 0.088 -11.628 1.00 51.13 H new ATOM 0 HA LYS A 611 -0.773 1.247 -11.489 1.00 22.21 H new ATOM 0 HB2 LYS A 611 -1.727 0.473 -13.611 1.00 23.35 H new ATOM 0 HB3 LYS A 611 -3.018 1.650 -13.482 1.00 23.35 H new ATOM 0 HG2 LYS A 611 -1.309 3.489 -13.497 1.00 0.43 H new ATOM 0 HG3 LYS A 611 -0.046 2.290 -13.697 1.00 0.43 H new ATOM 0 HD2 LYS A 611 -1.095 1.554 -15.831 1.00 51.33 H new ATOM 0 HD3 LYS A 611 -2.337 2.774 -15.634 1.00 51.33 H new ATOM 0 HE2 LYS A 611 -0.574 4.548 -15.609 1.00 20.13 H new ATOM 0 HE3 LYS A 611 0.653 3.319 -15.842 1.00 20.13 H new ATOM 0 HZ1 LYS A 611 0.061 4.369 -17.910 1.00 53.42 H new ATOM 0 HZ2 LYS A 611 -0.376 2.728 -17.944 1.00 53.42 H new ATOM 0 HZ3 LYS A 611 -1.565 3.919 -17.718 1.00 53.42 H new ATOM 480 N ASP A 612 -3.504 3.015 -10.922 1.00 64.51 N ATOM 481 CA ASP A 612 -4.058 4.313 -10.492 1.00 73.03 C ATOM 482 C ASP A 612 -3.880 4.523 -9.014 1.00 14.21 C ATOM 483 O ASP A 612 -4.103 5.629 -8.503 1.00 63.55 O ATOM 484 CB ASP A 612 -5.547 4.430 -10.836 1.00 32.33 C ATOM 485 CG ASP A 612 -5.826 4.329 -12.308 1.00 40.01 C ATOM 486 OD1 ASP A 612 -5.786 5.360 -13.011 1.00 3.41 O ATOM 487 OD2 ASP A 612 -6.103 3.209 -12.787 1.00 5.22 O ATOM 0 H ASP A 612 -4.204 2.281 -11.034 1.00 64.51 H new ATOM 0 HA ASP A 612 -3.505 5.081 -11.033 1.00 73.03 H new ATOM 0 HB2 ASP A 612 -6.096 3.646 -10.315 1.00 32.33 H new ATOM 0 HB3 ASP A 612 -5.924 5.383 -10.466 1.00 32.33 H new ATOM 492 N ALA A 613 -3.487 3.454 -8.336 1.00 22.24 N ATOM 493 CA ALA A 613 -3.235 3.444 -6.904 1.00 71.33 C ATOM 494 C ALA A 613 -4.493 3.690 -6.069 1.00 33.23 C ATOM 495 O ALA A 613 -5.598 3.848 -6.590 1.00 62.04 O ATOM 496 CB ALA A 613 -2.142 4.432 -6.538 1.00 14.22 C ATOM 0 H ALA A 613 -3.331 2.548 -8.778 1.00 22.24 H new ATOM 0 HA ALA A 613 -2.896 2.437 -6.661 1.00 71.33 H new ATOM 0 HB1 ALA A 613 -1.973 4.405 -5.462 1.00 14.22 H new ATOM 0 HB2 ALA A 613 -1.221 4.165 -7.057 1.00 14.22 H new ATOM 0 HB3 ALA A 613 -2.446 5.436 -6.832 1.00 14.22 H new ATOM 502 N TYR A 614 -4.294 3.688 -4.790 1.00 35.13 N ATOM 503 CA TYR A 614 -5.329 3.890 -3.790 1.00 74.11 C ATOM 504 C TYR A 614 -5.247 5.280 -3.213 1.00 42.52 C ATOM 505 O TYR A 614 -4.170 5.869 -3.148 1.00 45.31 O ATOM 506 CB TYR A 614 -5.191 2.848 -2.669 1.00 11.32 C ATOM 507 CG TYR A 614 -5.464 1.444 -3.131 1.00 61.31 C ATOM 508 CD1 TYR A 614 -4.551 0.770 -3.920 1.00 15.44 C ATOM 509 CD2 TYR A 614 -6.647 0.796 -2.796 1.00 70.31 C ATOM 510 CE1 TYR A 614 -4.797 -0.487 -4.364 1.00 5.40 C ATOM 511 CE2 TYR A 614 -6.901 -0.482 -3.236 1.00 63.04 C ATOM 512 CZ TYR A 614 -5.972 -1.118 -4.022 1.00 73.41 C ATOM 513 OH TYR A 614 -6.214 -2.388 -4.479 1.00 51.11 O ATOM 0 H TYR A 614 -3.371 3.540 -4.382 1.00 35.13 H new ATOM 0 HA TYR A 614 -6.300 3.771 -4.271 1.00 74.11 H new ATOM 0 HB2 TYR A 614 -4.183 2.899 -2.256 1.00 11.32 H new ATOM 0 HB3 TYR A 614 -5.879 3.099 -1.862 1.00 11.32 H new ATOM 0 HD1 TYR A 614 -3.624 1.254 -4.188 1.00 15.44 H new ATOM 0 HD2 TYR A 614 -7.377 1.303 -2.182 1.00 70.31 H new ATOM 0 HE1 TYR A 614 -4.072 -0.993 -4.985 1.00 5.40 H new ATOM 0 HE2 TYR A 614 -7.821 -0.980 -2.966 1.00 63.04 H new ATOM 0 HH TYR A 614 -5.363 -2.836 -4.667 1.00 51.11 H new ATOM 523 N LYS A 615 -6.368 5.795 -2.815 1.00 22.52 N ATOM 524 CA LYS A 615 -6.452 7.105 -2.243 1.00 40.43 C ATOM 525 C LYS A 615 -6.959 7.053 -0.809 1.00 71.44 C ATOM 526 O LYS A 615 -7.837 6.263 -0.485 1.00 15.04 O ATOM 527 CB LYS A 615 -7.306 8.029 -3.143 1.00 55.30 C ATOM 528 CG LYS A 615 -8.740 7.563 -3.437 1.00 3.40 C ATOM 529 CD LYS A 615 -9.721 7.767 -2.279 1.00 71.51 C ATOM 530 CE LYS A 615 -9.900 9.236 -1.941 1.00 2.20 C ATOM 531 NZ LYS A 615 -10.861 9.424 -0.838 1.00 43.51 N ATOM 0 H LYS A 615 -7.264 5.312 -2.879 1.00 22.52 H new ATOM 0 HA LYS A 615 -5.450 7.531 -2.196 1.00 40.43 H new ATOM 0 HB2 LYS A 615 -7.356 9.012 -2.674 1.00 55.30 H new ATOM 0 HB3 LYS A 615 -6.787 8.155 -4.093 1.00 55.30 H new ATOM 0 HG2 LYS A 615 -9.111 8.099 -4.311 1.00 3.40 H new ATOM 0 HG3 LYS A 615 -8.719 6.505 -3.697 1.00 3.40 H new ATOM 0 HD2 LYS A 615 -10.687 7.334 -2.541 1.00 71.51 H new ATOM 0 HD3 LYS A 615 -9.361 7.233 -1.400 1.00 71.51 H new ATOM 0 HE2 LYS A 615 -8.938 9.666 -1.664 1.00 2.20 H new ATOM 0 HE3 LYS A 615 -10.247 9.774 -2.823 1.00 2.20 H new ATOM 0 HZ1 LYS A 615 -11.141 10.424 -0.788 1.00 43.51 H new ATOM 0 HZ2 LYS A 615 -11.703 8.837 -1.007 1.00 43.51 H new ATOM 0 HZ3 LYS A 615 -10.418 9.143 0.060 1.00 43.51 H new ATOM 545 N VAL A 616 -6.364 7.847 0.036 1.00 42.32 N ATOM 546 CA VAL A 616 -6.772 7.991 1.422 1.00 61.22 C ATOM 547 C VAL A 616 -6.812 9.473 1.704 1.00 54.34 C ATOM 548 O VAL A 616 -5.817 10.142 1.531 1.00 1.43 O ATOM 549 CB VAL A 616 -5.733 7.362 2.397 1.00 24.33 C ATOM 550 CG1 VAL A 616 -6.233 7.405 3.833 1.00 23.21 C ATOM 551 CG2 VAL A 616 -5.350 5.953 1.990 1.00 1.14 C ATOM 0 H VAL A 616 -5.564 8.428 -0.216 1.00 42.32 H new ATOM 0 HA VAL A 616 -7.730 7.493 1.569 1.00 61.22 H new ATOM 0 HB VAL A 616 -4.829 7.967 2.337 1.00 24.33 H new ATOM 0 HG11 VAL A 616 -5.487 6.959 4.491 1.00 23.21 H new ATOM 0 HG12 VAL A 616 -6.405 8.440 4.128 1.00 23.21 H new ATOM 0 HG13 VAL A 616 -7.166 6.846 3.910 1.00 23.21 H new ATOM 0 HG21 VAL A 616 -4.624 5.554 2.698 1.00 1.14 H new ATOM 0 HG22 VAL A 616 -6.238 5.321 1.987 1.00 1.14 H new ATOM 0 HG23 VAL A 616 -4.912 5.969 0.992 1.00 1.14 H new ATOM 557 N GLU A 617 -7.915 10.001 2.102 1.00 71.03 N ATOM 558 CA GLU A 617 -7.957 11.414 2.353 1.00 63.33 C ATOM 559 C GLU A 617 -8.320 11.710 3.781 1.00 40.03 C ATOM 560 O GLU A 617 -9.115 11.006 4.394 1.00 40.43 O ATOM 561 CB GLU A 617 -8.890 12.150 1.388 1.00 54.23 C ATOM 562 CG GLU A 617 -10.363 11.814 1.529 1.00 32.03 C ATOM 563 CD GLU A 617 -11.204 12.564 0.541 1.00 23.22 C ATOM 564 OE1 GLU A 617 -11.635 13.706 0.844 1.00 62.14 O ATOM 565 OE2 GLU A 617 -11.428 12.030 -0.556 1.00 34.23 O ATOM 0 H GLU A 617 -8.787 9.497 2.261 1.00 71.03 H new ATOM 0 HA GLU A 617 -6.949 11.790 2.175 1.00 63.33 H new ATOM 0 HB2 GLU A 617 -8.763 13.223 1.533 1.00 54.23 H new ATOM 0 HB3 GLU A 617 -8.579 11.927 0.367 1.00 54.23 H new ATOM 0 HG2 GLU A 617 -10.506 10.743 1.388 1.00 32.03 H new ATOM 0 HG3 GLU A 617 -10.694 12.050 2.540 1.00 32.03 H new ATOM 572 N THR A 618 -7.713 12.726 4.301 1.00 71.43 N ATOM 573 CA THR A 618 -7.984 13.215 5.619 1.00 55.44 C ATOM 574 C THR A 618 -8.116 14.721 5.510 1.00 64.23 C ATOM 575 O THR A 618 -8.052 15.262 4.390 1.00 65.12 O ATOM 576 CB THR A 618 -6.832 12.865 6.607 1.00 65.33 C ATOM 577 OG1 THR A 618 -5.579 13.390 6.124 1.00 50.33 O ATOM 578 CG2 THR A 618 -6.710 11.362 6.816 1.00 23.42 C ATOM 0 H THR A 618 -6.994 13.256 3.809 1.00 71.43 H new ATOM 0 HA THR A 618 -8.893 12.754 6.006 1.00 55.44 H new ATOM 0 HB THR A 618 -7.073 13.324 7.566 1.00 65.33 H new ATOM 0 HG1 THR A 618 -5.511 13.238 5.158 1.00 50.33 H new ATOM 0 HG21 THR A 618 -5.896 11.156 7.511 1.00 23.42 H new ATOM 0 HG22 THR A 618 -7.643 10.975 7.225 1.00 23.42 H new ATOM 0 HG23 THR A 618 -6.503 10.878 5.862 1.00 23.42 H new ATOM 584 N ASP A 619 -8.316 15.396 6.619 1.00 73.25 N ATOM 585 CA ASP A 619 -8.356 16.858 6.622 1.00 12.24 C ATOM 586 C ASP A 619 -6.986 17.441 6.374 1.00 4.25 C ATOM 587 O ASP A 619 -6.859 18.498 5.767 1.00 32.33 O ATOM 588 CB ASP A 619 -8.915 17.427 7.934 1.00 41.31 C ATOM 589 CG ASP A 619 -10.409 17.290 8.079 1.00 53.01 C ATOM 590 OD1 ASP A 619 -10.896 16.216 8.454 1.00 61.44 O ATOM 591 OD2 ASP A 619 -11.127 18.288 7.853 1.00 3.32 O ATOM 0 H ASP A 619 -8.454 14.966 7.534 1.00 73.25 H new ATOM 0 HA ASP A 619 -9.028 17.144 5.812 1.00 12.24 H new ATOM 0 HB2 ASP A 619 -8.432 16.922 8.771 1.00 41.31 H new ATOM 0 HB3 ASP A 619 -8.650 18.482 8.002 1.00 41.31 H new ATOM 596 N LYS A 620 -5.956 16.728 6.810 1.00 24.02 N ATOM 597 CA LYS A 620 -4.597 17.234 6.703 1.00 61.35 C ATOM 598 C LYS A 620 -4.023 16.977 5.322 1.00 33.44 C ATOM 599 O LYS A 620 -3.627 17.914 4.618 1.00 14.21 O ATOM 600 CB LYS A 620 -3.664 16.593 7.749 1.00 72.22 C ATOM 601 CG LYS A 620 -4.080 16.771 9.202 1.00 31.43 C ATOM 602 CD LYS A 620 -3.009 16.233 10.176 1.00 34.40 C ATOM 603 CE LYS A 620 -2.679 14.753 9.941 1.00 32.32 C ATOM 604 NZ LYS A 620 -1.668 14.244 10.906 1.00 73.01 N ATOM 0 H LYS A 620 -6.035 15.805 7.237 1.00 24.02 H new ATOM 0 HA LYS A 620 -4.653 18.307 6.885 1.00 61.35 H new ATOM 0 HB2 LYS A 620 -3.592 15.526 7.539 1.00 72.22 H new ATOM 0 HB3 LYS A 620 -2.665 17.011 7.622 1.00 72.22 H new ATOM 0 HG2 LYS A 620 -4.256 17.828 9.403 1.00 31.43 H new ATOM 0 HG3 LYS A 620 -5.023 16.252 9.376 1.00 31.43 H new ATOM 0 HD2 LYS A 620 -2.099 16.824 10.071 1.00 34.40 H new ATOM 0 HD3 LYS A 620 -3.358 16.364 11.200 1.00 34.40 H new ATOM 0 HE2 LYS A 620 -3.590 14.161 10.026 1.00 32.32 H new ATOM 0 HE3 LYS A 620 -2.307 14.622 8.925 1.00 32.32 H new ATOM 0 HZ1 LYS A 620 -1.450 13.250 10.689 1.00 73.01 H new ATOM 0 HZ2 LYS A 620 -0.800 14.813 10.832 1.00 73.01 H new ATOM 0 HZ3 LYS A 620 -2.045 14.313 11.873 1.00 73.01 H new ATOM 618 N TYR A 621 -3.990 15.716 4.920 1.00 33.34 N ATOM 619 CA TYR A 621 -3.356 15.347 3.664 1.00 60.13 C ATOM 620 C TYR A 621 -4.211 14.339 2.927 1.00 24.12 C ATOM 621 O TYR A 621 -5.098 13.706 3.519 1.00 41.43 O ATOM 622 CB TYR A 621 -2.010 14.637 3.924 1.00 73.13 C ATOM 623 CG TYR A 621 -1.065 15.292 4.905 1.00 4.21 C ATOM 624 CD1 TYR A 621 -0.259 16.350 4.538 1.00 4.44 C ATOM 625 CD2 TYR A 621 -0.964 14.811 6.207 1.00 12.21 C ATOM 626 CE1 TYR A 621 0.618 16.916 5.438 1.00 1.43 C ATOM 627 CE2 TYR A 621 -0.095 15.372 7.110 1.00 42.42 C ATOM 628 CZ TYR A 621 0.698 16.424 6.719 1.00 54.34 C ATOM 629 OH TYR A 621 1.578 16.990 7.611 1.00 60.23 O ATOM 0 H TYR A 621 -4.391 14.936 5.441 1.00 33.34 H new ATOM 0 HA TYR A 621 -3.220 16.264 3.091 1.00 60.13 H new ATOM 0 HB2 TYR A 621 -2.222 13.629 4.280 1.00 73.13 H new ATOM 0 HB3 TYR A 621 -1.491 14.535 2.971 1.00 73.13 H new ATOM 0 HD1 TYR A 621 -0.316 16.740 3.532 1.00 4.44 H new ATOM 0 HD2 TYR A 621 -1.582 13.980 6.513 1.00 12.21 H new ATOM 0 HE1 TYR A 621 1.242 17.745 5.137 1.00 1.43 H new ATOM 0 HE2 TYR A 621 -0.035 14.990 8.118 1.00 42.42 H new ATOM 0 HH TYR A 621 1.512 16.529 8.473 1.00 60.23 H new ATOM 639 N GLU A 622 -3.965 14.198 1.656 1.00 4.05 N ATOM 640 CA GLU A 622 -4.513 13.107 0.918 1.00 22.12 C ATOM 641 C GLU A 622 -3.351 12.237 0.508 1.00 10.15 C ATOM 642 O GLU A 622 -2.347 12.727 -0.017 1.00 24.34 O ATOM 643 CB GLU A 622 -5.363 13.532 -0.302 1.00 43.34 C ATOM 644 CG GLU A 622 -4.631 14.307 -1.384 1.00 12.44 C ATOM 645 CD GLU A 622 -5.492 14.520 -2.604 1.00 1.22 C ATOM 646 OE1 GLU A 622 -5.577 13.597 -3.453 1.00 55.45 O ATOM 647 OE2 GLU A 622 -6.098 15.593 -2.744 1.00 51.03 O ATOM 0 H GLU A 622 -3.383 14.833 1.110 1.00 4.05 H new ATOM 0 HA GLU A 622 -5.218 12.568 1.551 1.00 22.12 H new ATOM 0 HB2 GLU A 622 -5.792 12.636 -0.751 1.00 43.34 H new ATOM 0 HB3 GLU A 622 -6.195 14.140 0.053 1.00 43.34 H new ATOM 0 HG2 GLU A 622 -4.316 15.273 -0.989 1.00 12.44 H new ATOM 0 HG3 GLU A 622 -3.727 13.769 -1.667 1.00 12.44 H new ATOM 654 N PHE A 623 -3.466 10.986 0.761 1.00 72.34 N ATOM 655 CA PHE A 623 -2.407 10.065 0.516 1.00 74.40 C ATOM 656 C PHE A 623 -2.783 9.170 -0.615 1.00 42.32 C ATOM 657 O PHE A 623 -3.942 8.795 -0.758 1.00 1.45 O ATOM 658 CB PHE A 623 -2.154 9.202 1.756 1.00 22.14 C ATOM 659 CG PHE A 623 -1.855 9.970 3.010 1.00 13.43 C ATOM 660 CD1 PHE A 623 -2.883 10.388 3.846 1.00 33.52 C ATOM 661 CD2 PHE A 623 -0.553 10.264 3.360 1.00 1.40 C ATOM 662 CE1 PHE A 623 -2.613 11.084 5.001 1.00 54.43 C ATOM 663 CE2 PHE A 623 -0.276 10.961 4.518 1.00 75.41 C ATOM 664 CZ PHE A 623 -1.304 11.371 5.338 1.00 41.25 C ATOM 0 H PHE A 623 -4.308 10.562 1.150 1.00 72.34 H new ATOM 0 HA PHE A 623 -1.505 10.627 0.274 1.00 74.40 H new ATOM 0 HB2 PHE A 623 -3.030 8.577 1.930 1.00 22.14 H new ATOM 0 HB3 PHE A 623 -1.319 8.532 1.550 1.00 22.14 H new ATOM 0 HD1 PHE A 623 -3.907 10.164 3.586 1.00 33.52 H new ATOM 0 HD2 PHE A 623 0.257 9.945 2.721 1.00 1.40 H new ATOM 0 HE1 PHE A 623 -3.421 11.405 5.642 1.00 54.43 H new ATOM 0 HE2 PHE A 623 0.747 11.185 4.782 1.00 75.41 H new ATOM 0 HZ PHE A 623 -1.087 11.917 6.244 1.00 41.25 H new ATOM 674 N HIS A 624 -1.846 8.863 -1.433 1.00 11.32 N ATOM 675 CA HIS A 624 -2.055 7.913 -2.477 1.00 12.33 C ATOM 676 C HIS A 624 -1.044 6.828 -2.316 1.00 52.42 C ATOM 677 O HIS A 624 0.160 7.096 -2.303 1.00 13.44 O ATOM 678 CB HIS A 624 -2.031 8.560 -3.873 1.00 45.42 C ATOM 679 CG HIS A 624 -3.155 9.549 -4.078 1.00 25.51 C ATOM 680 ND1 HIS A 624 -4.333 9.240 -4.726 1.00 53.10 N ATOM 681 CD2 HIS A 624 -3.275 10.848 -3.695 1.00 3.11 C ATOM 682 CE1 HIS A 624 -5.120 10.301 -4.728 1.00 54.42 C ATOM 683 NE2 HIS A 624 -4.498 11.280 -4.112 1.00 25.04 N ATOM 0 H HIS A 624 -0.907 9.261 -1.403 1.00 11.32 H new ATOM 0 HA HIS A 624 -3.055 7.486 -2.397 1.00 12.33 H new ATOM 0 HB2 HIS A 624 -1.077 9.066 -4.018 1.00 45.42 H new ATOM 0 HB3 HIS A 624 -2.096 7.780 -4.631 1.00 45.42 H new ATOM 0 HD2 HIS A 624 -2.538 11.429 -3.160 1.00 3.11 H new ATOM 0 HE1 HIS A 624 -6.107 10.354 -5.162 1.00 54.42 H new ATOM 0 HE2 HIS A 624 -4.872 12.218 -3.968 1.00 25.04 H new ATOM 692 N ILE A 625 -1.532 5.623 -2.146 1.00 40.13 N ATOM 693 CA ILE A 625 -0.702 4.479 -1.817 1.00 64.01 C ATOM 694 C ILE A 625 -0.946 3.383 -2.835 1.00 72.24 C ATOM 695 O ILE A 625 -2.018 3.313 -3.424 1.00 33.04 O ATOM 696 CB ILE A 625 -1.081 3.938 -0.403 1.00 42.44 C ATOM 697 CG1 ILE A 625 -1.070 5.076 0.618 1.00 31.42 C ATOM 698 CG2 ILE A 625 -0.124 2.827 0.038 1.00 74.03 C ATOM 699 CD1 ILE A 625 -1.448 4.653 2.010 1.00 3.43 C ATOM 0 H ILE A 625 -2.524 5.402 -2.232 1.00 40.13 H new ATOM 0 HA ILE A 625 0.345 4.781 -1.825 1.00 64.01 H new ATOM 0 HB ILE A 625 -2.085 3.519 -0.460 1.00 42.44 H new ATOM 0 HG12 ILE A 625 -0.074 5.519 0.642 1.00 31.42 H new ATOM 0 HG13 ILE A 625 -1.758 5.854 0.287 1.00 31.42 H new ATOM 0 HG21 ILE A 625 -0.412 2.469 1.026 1.00 74.03 H new ATOM 0 HG22 ILE A 625 -0.171 2.003 -0.674 1.00 74.03 H new ATOM 0 HG23 ILE A 625 0.893 3.217 0.076 1.00 74.03 H new ATOM 0 HD11 ILE A 625 -1.416 5.517 2.674 1.00 3.43 H new ATOM 0 HD12 ILE A 625 -2.456 4.238 2.003 1.00 3.43 H new ATOM 0 HD13 ILE A 625 -0.747 3.897 2.364 1.00 3.43 H new ATOM 706 N ASN A 626 0.022 2.552 -3.041 1.00 2.31 N ATOM 707 CA ASN A 626 -0.072 1.473 -3.974 1.00 72.02 C ATOM 708 C ASN A 626 0.707 0.325 -3.394 1.00 32.52 C ATOM 709 O ASN A 626 1.478 0.543 -2.506 1.00 60.43 O ATOM 710 CB ASN A 626 0.420 1.916 -5.347 1.00 63.43 C ATOM 711 CG ASN A 626 0.025 0.986 -6.453 1.00 42.10 C ATOM 712 OD1 ASN A 626 -0.921 0.187 -6.318 1.00 23.14 O ATOM 713 ND2 ASN A 626 0.642 1.154 -7.578 1.00 63.41 N ATOM 0 H ASN A 626 0.919 2.603 -2.557 1.00 2.31 H new ATOM 0 HA ASN A 626 -1.102 1.153 -4.130 1.00 72.02 H new ATOM 0 HB2 ASN A 626 0.027 2.910 -5.561 1.00 63.43 H new ATOM 0 HB3 ASN A 626 1.506 2.000 -5.325 1.00 63.43 H new ATOM 0 HD21 ASN A 626 0.358 0.621 -8.400 1.00 63.41 H new ATOM 0 HD22 ASN A 626 1.412 1.820 -7.643 1.00 63.41 H new ATOM 719 N VAL A 627 0.404 -0.887 -3.771 1.00 31.51 N ATOM 720 CA VAL A 627 1.086 -2.052 -3.178 1.00 54.24 C ATOM 721 C VAL A 627 2.478 -2.275 -3.773 1.00 53.02 C ATOM 722 O VAL A 627 3.406 -2.692 -3.098 1.00 32.33 O ATOM 723 CB VAL A 627 0.217 -3.314 -3.306 1.00 51.34 C ATOM 724 CG1 VAL A 627 0.876 -4.531 -2.667 1.00 44.12 C ATOM 725 CG2 VAL A 627 -1.114 -3.047 -2.674 1.00 22.21 C ATOM 0 H VAL A 627 -0.298 -1.114 -4.475 1.00 31.51 H new ATOM 0 HA VAL A 627 1.229 -1.838 -2.119 1.00 54.24 H new ATOM 0 HB VAL A 627 0.093 -3.544 -4.364 1.00 51.34 H new ATOM 0 HG11 VAL A 627 0.226 -5.399 -2.782 1.00 44.12 H new ATOM 0 HG12 VAL A 627 1.831 -4.726 -3.155 1.00 44.12 H new ATOM 0 HG13 VAL A 627 1.043 -4.340 -1.607 1.00 44.12 H new ATOM 0 HG21 VAL A 627 -1.741 -3.935 -2.758 1.00 22.21 H new ATOM 0 HG22 VAL A 627 -0.974 -2.799 -1.622 1.00 22.21 H new ATOM 0 HG23 VAL A 627 -1.597 -2.212 -3.182 1.00 22.21 H new ATOM 731 N CYS A 628 2.608 -1.977 -5.002 1.00 50.15 N ATOM 732 CA CYS A 628 3.852 -2.137 -5.707 1.00 41.42 C ATOM 733 C CYS A 628 3.975 -1.033 -6.709 1.00 52.44 C ATOM 734 O CYS A 628 2.973 -0.606 -7.282 1.00 12.41 O ATOM 735 CB CYS A 628 3.887 -3.468 -6.473 1.00 32.44 C ATOM 736 SG CYS A 628 3.662 -4.988 -5.488 1.00 43.42 S ATOM 0 H CYS A 628 1.850 -1.606 -5.575 1.00 50.15 H new ATOM 0 HA CYS A 628 4.665 -2.118 -4.981 1.00 41.42 H new ATOM 0 HB2 CYS A 628 3.111 -3.441 -7.238 1.00 32.44 H new ATOM 0 HB3 CYS A 628 4.843 -3.537 -6.991 1.00 32.44 H new ATOM 741 N GLY A 629 5.166 -0.561 -6.915 1.00 62.11 N ATOM 742 CA GLY A 629 5.392 0.405 -7.946 1.00 72.12 C ATOM 743 C GLY A 629 4.986 1.793 -7.529 1.00 71.54 C ATOM 744 O GLY A 629 4.914 2.082 -6.337 1.00 54.24 O ATOM 0 H GLY A 629 5.995 -0.828 -6.384 1.00 62.11 H new ATOM 0 HA2 GLY A 629 6.448 0.404 -8.216 1.00 72.12 H new ATOM 0 HA3 GLY A 629 4.834 0.118 -8.838 1.00 72.12 H new ATOM 748 N PRO A 630 4.744 2.685 -8.481 1.00 50.52 N ATOM 749 CA PRO A 630 4.372 4.044 -8.190 1.00 4.24 C ATOM 750 C PRO A 630 2.858 4.239 -8.081 1.00 74.34 C ATOM 751 O PRO A 630 2.066 3.340 -8.389 1.00 44.14 O ATOM 752 CB PRO A 630 4.916 4.803 -9.398 1.00 40.12 C ATOM 753 CG PRO A 630 4.825 3.829 -10.535 1.00 33.40 C ATOM 754 CD PRO A 630 4.826 2.440 -9.933 1.00 54.55 C ATOM 0 HA PRO A 630 4.762 4.378 -7.229 1.00 4.24 H new ATOM 0 HB2 PRO A 630 4.330 5.700 -9.598 1.00 40.12 H new ATOM 0 HB3 PRO A 630 5.945 5.124 -9.233 1.00 40.12 H new ATOM 0 HG2 PRO A 630 3.917 3.997 -11.114 1.00 33.40 H new ATOM 0 HG3 PRO A 630 5.666 3.954 -11.217 1.00 33.40 H new ATOM 0 HD2 PRO A 630 3.981 1.850 -10.287 1.00 54.55 H new ATOM 0 HD3 PRO A 630 5.730 1.891 -10.195 1.00 54.55 H new ATOM 762 N VAL A 631 2.480 5.408 -7.646 1.00 61.04 N ATOM 763 CA VAL A 631 1.093 5.801 -7.544 1.00 44.11 C ATOM 764 C VAL A 631 0.780 6.831 -8.602 1.00 21.11 C ATOM 765 O VAL A 631 1.643 7.641 -8.965 1.00 41.43 O ATOM 766 CB VAL A 631 0.763 6.437 -6.151 1.00 73.44 C ATOM 767 CG1 VAL A 631 0.940 5.443 -5.055 1.00 12.51 C ATOM 768 CG2 VAL A 631 1.620 7.671 -5.867 1.00 3.02 C ATOM 0 H VAL A 631 3.134 6.131 -7.346 1.00 61.04 H new ATOM 0 HA VAL A 631 0.495 4.899 -7.674 1.00 44.11 H new ATOM 0 HB VAL A 631 -0.281 6.749 -6.189 1.00 73.44 H new ATOM 0 HG11 VAL A 631 0.705 5.910 -4.099 1.00 12.51 H new ATOM 0 HG12 VAL A 631 0.273 4.597 -5.220 1.00 12.51 H new ATOM 0 HG13 VAL A 631 1.972 5.094 -5.044 1.00 12.51 H new ATOM 0 HG21 VAL A 631 1.358 8.079 -4.891 1.00 3.02 H new ATOM 0 HG22 VAL A 631 2.674 7.391 -5.872 1.00 3.02 H new ATOM 0 HG23 VAL A 631 1.441 8.423 -6.635 1.00 3.02 H new ATOM 774 N SER A 632 -0.425 6.805 -9.130 1.00 22.55 N ATOM 775 CA SER A 632 -0.776 7.860 -10.063 1.00 45.52 C ATOM 776 C SER A 632 -1.306 9.071 -9.299 1.00 64.14 C ATOM 777 O SER A 632 -2.268 8.957 -8.530 1.00 23.22 O ATOM 778 CB SER A 632 -1.843 7.386 -11.045 1.00 53.25 C ATOM 779 OG SER A 632 -1.396 6.285 -11.817 1.00 40.55 O ATOM 0 H SER A 632 -1.145 6.107 -8.945 1.00 22.55 H new ATOM 0 HA SER A 632 0.121 8.132 -10.620 1.00 45.52 H new ATOM 0 HB2 SER A 632 -2.742 7.104 -10.497 1.00 53.25 H new ATOM 0 HB3 SER A 632 -2.118 8.207 -11.708 1.00 53.25 H new ATOM 0 HG SER A 632 -1.407 5.474 -11.267 1.00 40.55 H new ATOM 785 N VAL A 633 -0.680 10.225 -9.522 1.00 3.41 N ATOM 786 CA VAL A 633 -1.096 11.511 -8.950 1.00 23.14 C ATOM 787 C VAL A 633 -0.573 12.590 -9.902 1.00 61.13 C ATOM 788 O VAL A 633 0.458 12.383 -10.542 1.00 43.05 O ATOM 789 CB VAL A 633 -0.482 11.794 -7.513 1.00 13.03 C ATOM 790 CG1 VAL A 633 -1.095 13.042 -6.891 1.00 31.24 C ATOM 791 CG2 VAL A 633 -0.631 10.623 -6.558 1.00 13.53 C ATOM 0 H VAL A 633 0.146 10.297 -10.116 1.00 3.41 H new ATOM 0 HA VAL A 633 -2.180 11.504 -8.836 1.00 23.14 H new ATOM 0 HB VAL A 633 0.585 11.950 -7.672 1.00 13.03 H new ATOM 0 HG11 VAL A 633 -0.656 13.212 -5.908 1.00 31.24 H new ATOM 0 HG12 VAL A 633 -0.896 13.902 -7.530 1.00 31.24 H new ATOM 0 HG13 VAL A 633 -2.172 12.906 -6.789 1.00 31.24 H new ATOM 0 HG21 VAL A 633 -0.191 10.881 -5.595 1.00 13.53 H new ATOM 0 HG22 VAL A 633 -1.688 10.394 -6.425 1.00 13.53 H new ATOM 0 HG23 VAL A 633 -0.120 9.752 -6.968 1.00 13.53 H new ATOM 797 N GLY A 634 -1.241 13.716 -9.993 1.00 24.23 N ATOM 798 CA GLY A 634 -0.773 14.783 -10.871 1.00 11.22 C ATOM 799 C GLY A 634 0.078 15.808 -10.131 1.00 32.42 C ATOM 800 O GLY A 634 0.335 16.905 -10.631 1.00 43.51 O ATOM 0 H GLY A 634 -2.099 13.924 -9.481 1.00 24.23 H new ATOM 0 HA2 GLY A 634 -0.192 14.352 -11.686 1.00 11.22 H new ATOM 0 HA3 GLY A 634 -1.631 15.283 -11.321 1.00 11.22 H new ATOM 804 N ALA A 635 0.512 15.452 -8.940 1.00 33.42 N ATOM 805 CA ALA A 635 1.299 16.347 -8.108 1.00 42.22 C ATOM 806 C ALA A 635 2.453 15.594 -7.456 1.00 32.21 C ATOM 807 O ALA A 635 3.044 16.061 -6.485 1.00 74.22 O ATOM 808 CB ALA A 635 0.401 16.964 -7.040 1.00 2.23 C ATOM 0 H ALA A 635 0.332 14.540 -8.520 1.00 33.42 H new ATOM 0 HA ALA A 635 1.717 17.138 -8.731 1.00 42.22 H new ATOM 0 HB1 ALA A 635 0.989 17.636 -6.414 1.00 2.23 H new ATOM 0 HB2 ALA A 635 -0.402 17.524 -7.519 1.00 2.23 H new ATOM 0 HB3 ALA A 635 -0.026 16.174 -6.423 1.00 2.23 H new ATOM 814 N CYS A 636 2.797 14.456 -8.012 1.00 15.32 N ATOM 815 CA CYS A 636 3.841 13.611 -7.447 1.00 4.14 C ATOM 816 C CYS A 636 4.690 13.050 -8.583 1.00 43.15 C ATOM 817 O CYS A 636 4.231 13.051 -9.736 1.00 24.41 O ATOM 818 CB CYS A 636 3.189 12.463 -6.659 1.00 2.31 C ATOM 819 SG CYS A 636 2.037 13.017 -5.357 1.00 43.44 S ATOM 0 H CYS A 636 2.370 14.086 -8.861 1.00 15.32 H new ATOM 0 HA CYS A 636 4.474 14.190 -6.775 1.00 4.14 H new ATOM 0 HB2 CYS A 636 2.652 11.818 -7.354 1.00 2.31 H new ATOM 0 HB3 CYS A 636 3.973 11.858 -6.203 1.00 2.31 H new ATOM 824 N PRO A 637 5.935 12.583 -8.318 1.00 55.34 N ATOM 825 CA PRO A 637 6.768 12.010 -9.364 1.00 64.25 C ATOM 826 C PRO A 637 6.297 10.586 -9.733 1.00 1.15 C ATOM 827 O PRO A 637 5.769 9.856 -8.880 1.00 33.40 O ATOM 828 CB PRO A 637 8.169 11.984 -8.739 1.00 42.15 C ATOM 829 CG PRO A 637 7.940 11.885 -7.273 1.00 3.12 C ATOM 830 CD PRO A 637 6.622 12.567 -6.992 1.00 14.01 C ATOM 0 HA PRO A 637 6.731 12.580 -10.292 1.00 64.25 H new ATOM 0 HB2 PRO A 637 8.748 11.136 -9.105 1.00 42.15 H new ATOM 0 HB3 PRO A 637 8.729 12.885 -8.990 1.00 42.15 H new ATOM 0 HG2 PRO A 637 7.912 10.843 -6.955 1.00 3.12 H new ATOM 0 HG3 PRO A 637 8.749 12.364 -6.722 1.00 3.12 H new ATOM 0 HD2 PRO A 637 6.041 12.022 -6.248 1.00 14.01 H new ATOM 0 HD3 PRO A 637 6.769 13.576 -6.606 1.00 14.01 H new ATOM 838 N PRO A 638 6.492 10.167 -11.001 1.00 12.32 N ATOM 839 CA PRO A 638 6.055 8.836 -11.499 1.00 50.25 C ATOM 840 C PRO A 638 6.853 7.650 -10.908 1.00 11.12 C ATOM 841 O PRO A 638 6.759 6.524 -11.393 1.00 51.23 O ATOM 842 CB PRO A 638 6.296 8.936 -13.009 1.00 54.21 C ATOM 843 CG PRO A 638 7.377 9.951 -13.148 1.00 61.44 C ATOM 844 CD PRO A 638 7.133 10.960 -12.069 1.00 41.42 C ATOM 0 HA PRO A 638 5.024 8.629 -11.213 1.00 50.25 H new ATOM 0 HB2 PRO A 638 6.597 7.976 -13.427 1.00 54.21 H new ATOM 0 HB3 PRO A 638 5.393 9.244 -13.536 1.00 54.21 H new ATOM 0 HG2 PRO A 638 8.360 9.492 -13.039 1.00 61.44 H new ATOM 0 HG3 PRO A 638 7.350 10.418 -14.133 1.00 61.44 H new ATOM 0 HD2 PRO A 638 8.062 11.417 -11.728 1.00 41.42 H new ATOM 0 HD3 PRO A 638 6.487 11.768 -12.413 1.00 41.42 H new ATOM 852 N ASP A 639 7.620 7.912 -9.877 1.00 65.24 N ATOM 853 CA ASP A 639 8.389 6.887 -9.189 1.00 75.03 C ATOM 854 C ASP A 639 8.082 6.910 -7.713 1.00 52.34 C ATOM 855 O ASP A 639 8.756 6.277 -6.923 1.00 0.23 O ATOM 856 CB ASP A 639 9.904 7.036 -9.406 1.00 15.52 C ATOM 857 CG ASP A 639 10.357 6.772 -10.825 1.00 53.03 C ATOM 858 OD1 ASP A 639 10.600 5.593 -11.165 1.00 50.23 O ATOM 859 OD2 ASP A 639 10.492 7.734 -11.614 1.00 71.15 O ATOM 0 H ASP A 639 7.733 8.847 -9.484 1.00 65.24 H new ATOM 0 HA ASP A 639 8.093 5.929 -9.617 1.00 75.03 H new ATOM 0 HB2 ASP A 639 10.202 8.046 -9.123 1.00 15.52 H new ATOM 0 HB3 ASP A 639 10.424 6.351 -8.737 1.00 15.52 H new ATOM 864 N SER A 640 7.063 7.632 -7.343 1.00 50.44 N ATOM 865 CA SER A 640 6.640 7.686 -5.970 1.00 15.13 C ATOM 866 C SER A 640 5.593 6.611 -5.745 1.00 21.23 C ATOM 867 O SER A 640 4.608 6.565 -6.464 1.00 32.15 O ATOM 868 CB SER A 640 6.043 9.065 -5.666 1.00 12.34 C ATOM 869 OG SER A 640 5.589 9.157 -4.335 1.00 44.00 O ATOM 0 H SER A 640 6.503 8.198 -7.980 1.00 50.44 H new ATOM 0 HA SER A 640 7.491 7.520 -5.310 1.00 15.13 H new ATOM 0 HB2 SER A 640 6.794 9.834 -5.848 1.00 12.34 H new ATOM 0 HB3 SER A 640 5.215 9.261 -6.347 1.00 12.34 H new ATOM 0 HG SER A 640 6.345 9.359 -3.745 1.00 44.00 H new ATOM 875 N GLY A 641 5.815 5.741 -4.777 1.00 53.03 N ATOM 876 CA GLY A 641 4.838 4.703 -4.490 1.00 51.34 C ATOM 877 C GLY A 641 3.935 5.079 -3.340 1.00 74.43 C ATOM 878 O GLY A 641 2.991 4.368 -3.011 1.00 21.33 O ATOM 0 H GLY A 641 6.646 5.729 -4.185 1.00 53.03 H new ATOM 0 HA2 GLY A 641 4.235 4.517 -5.379 1.00 51.34 H new ATOM 0 HA3 GLY A 641 5.356 3.773 -4.256 1.00 51.34 H new ATOM 882 N ALA A 642 4.237 6.190 -2.726 1.00 70.23 N ATOM 883 CA ALA A 642 3.422 6.746 -1.680 1.00 24.33 C ATOM 884 C ALA A 642 3.614 8.238 -1.698 1.00 4.14 C ATOM 885 O ALA A 642 4.741 8.722 -1.571 1.00 44.54 O ATOM 886 CB ALA A 642 3.821 6.174 -0.321 1.00 40.52 C ATOM 0 H ALA A 642 5.067 6.742 -2.941 1.00 70.23 H new ATOM 0 HA ALA A 642 2.375 6.493 -1.845 1.00 24.33 H new ATOM 0 HB1 ALA A 642 3.192 6.608 0.456 1.00 40.52 H new ATOM 0 HB2 ALA A 642 3.692 5.092 -0.330 1.00 40.52 H new ATOM 0 HB3 ALA A 642 4.865 6.413 -0.118 1.00 40.52 H new ATOM 892 N CYS A 643 2.548 8.969 -1.842 1.00 71.53 N ATOM 893 CA CYS A 643 2.651 10.412 -1.955 1.00 50.22 C ATOM 894 C CYS A 643 1.480 11.105 -1.278 1.00 11.14 C ATOM 895 O CYS A 643 0.326 10.652 -1.396 1.00 72.33 O ATOM 896 CB CYS A 643 2.772 10.836 -3.413 1.00 65.24 C ATOM 897 SG CYS A 643 3.025 12.624 -3.646 1.00 1.43 S ATOM 0 H CYS A 643 1.597 8.602 -1.885 1.00 71.53 H new ATOM 0 HA CYS A 643 3.559 10.722 -1.438 1.00 50.22 H new ATOM 0 HB2 CYS A 643 3.604 10.299 -3.869 1.00 65.24 H new ATOM 0 HB3 CYS A 643 1.869 10.535 -3.944 1.00 65.24 H new ATOM 902 N GLN A 644 1.779 12.172 -0.541 1.00 34.10 N ATOM 903 CA GLN A 644 0.777 12.917 0.179 1.00 31.32 C ATOM 904 C GLN A 644 0.704 14.339 -0.328 1.00 61.13 C ATOM 905 O GLN A 644 1.737 15.001 -0.546 1.00 3.50 O ATOM 906 CB GLN A 644 1.040 12.924 1.705 1.00 45.30 C ATOM 907 CG GLN A 644 2.345 13.580 2.136 1.00 5.23 C ATOM 908 CD GLN A 644 2.555 13.561 3.641 1.00 15.12 C ATOM 909 OE1 GLN A 644 1.613 13.573 4.409 1.00 70.22 O ATOM 910 NE2 GLN A 644 3.792 13.551 4.063 1.00 64.42 N ATOM 0 H GLN A 644 2.726 12.536 -0.433 1.00 34.10 H new ATOM 0 HA GLN A 644 -0.176 12.417 0.003 1.00 31.32 H new ATOM 0 HB2 GLN A 644 0.214 13.438 2.197 1.00 45.30 H new ATOM 0 HB3 GLN A 644 1.034 11.895 2.063 1.00 45.30 H new ATOM 0 HG2 GLN A 644 3.178 13.069 1.653 1.00 5.23 H new ATOM 0 HG3 GLN A 644 2.358 14.612 1.787 1.00 5.23 H new ATOM 0 HE21 GLN A 644 4.560 13.541 3.392 1.00 64.42 H new ATOM 0 HE22 GLN A 644 3.990 13.553 5.064 1.00 64.42 H new ATOM 918 N VAL A 645 -0.484 14.791 -0.537 1.00 3.24 N ATOM 919 CA VAL A 645 -0.732 16.149 -0.906 1.00 2.13 C ATOM 920 C VAL A 645 -1.465 16.782 0.251 1.00 24.43 C ATOM 921 O VAL A 645 -2.519 16.290 0.663 1.00 13.41 O ATOM 922 CB VAL A 645 -1.597 16.253 -2.198 1.00 33.55 C ATOM 923 CG1 VAL A 645 -1.830 17.713 -2.584 1.00 54.14 C ATOM 924 CG2 VAL A 645 -0.945 15.496 -3.352 1.00 2.43 C ATOM 0 H VAL A 645 -1.326 14.222 -0.456 1.00 3.24 H new ATOM 0 HA VAL A 645 0.211 16.653 -1.119 1.00 2.13 H new ATOM 0 HB VAL A 645 -2.564 15.795 -1.989 1.00 33.55 H new ATOM 0 HG11 VAL A 645 -2.436 17.758 -3.489 1.00 54.14 H new ATOM 0 HG12 VAL A 645 -2.349 18.225 -1.774 1.00 54.14 H new ATOM 0 HG13 VAL A 645 -0.871 18.199 -2.765 1.00 54.14 H new ATOM 0 HG21 VAL A 645 -1.568 15.583 -4.242 1.00 2.43 H new ATOM 0 HG22 VAL A 645 0.039 15.919 -3.554 1.00 2.43 H new ATOM 0 HG23 VAL A 645 -0.840 14.445 -3.084 1.00 2.43 H new ATOM 930 N SER A 646 -0.910 17.824 0.810 1.00 72.44 N ATOM 931 CA SER A 646 -1.526 18.477 1.920 1.00 0.54 C ATOM 932 C SER A 646 -2.734 19.233 1.449 1.00 1.30 C ATOM 933 O SER A 646 -2.720 19.876 0.399 1.00 45.24 O ATOM 934 CB SER A 646 -0.546 19.413 2.626 1.00 4.44 C ATOM 935 OG SER A 646 -1.161 20.088 3.718 1.00 35.43 O ATOM 0 H SER A 646 -0.027 18.236 0.508 1.00 72.44 H new ATOM 0 HA SER A 646 -1.834 17.721 2.642 1.00 0.54 H new ATOM 0 HB2 SER A 646 0.309 18.841 2.986 1.00 4.44 H new ATOM 0 HB3 SER A 646 -0.163 20.144 1.914 1.00 4.44 H new ATOM 0 HG SER A 646 -0.534 20.133 4.470 1.00 35.43 H new ATOM 941 N ARG A 647 -3.755 19.171 2.223 1.00 42.32 N ATOM 942 CA ARG A 647 -4.982 19.799 1.889 1.00 64.41 C ATOM 943 C ARG A 647 -5.111 21.038 2.743 1.00 54.22 C ATOM 944 O ARG A 647 -5.723 22.027 2.345 1.00 54.44 O ATOM 945 CB ARG A 647 -6.133 18.823 2.143 1.00 51.42 C ATOM 946 CG ARG A 647 -5.846 17.432 1.580 1.00 13.11 C ATOM 947 CD ARG A 647 -6.991 16.463 1.759 1.00 35.00 C ATOM 948 NE ARG A 647 -8.057 16.646 0.778 1.00 33.13 N ATOM 949 CZ ARG A 647 -9.206 15.968 0.792 1.00 24.02 C ATOM 950 NH1 ARG A 647 -9.574 15.301 1.878 1.00 14.54 N ATOM 951 NH2 ARG A 647 -10.014 16.006 -0.253 1.00 44.33 N ATOM 0 H ARG A 647 -3.763 18.678 3.116 1.00 42.32 H new ATOM 0 HA ARG A 647 -5.012 20.082 0.837 1.00 64.41 H new ATOM 0 HB2 ARG A 647 -6.314 18.749 3.215 1.00 51.42 H new ATOM 0 HB3 ARG A 647 -7.045 19.214 1.692 1.00 51.42 H new ATOM 0 HG2 ARG A 647 -5.616 17.519 0.518 1.00 13.11 H new ATOM 0 HG3 ARG A 647 -4.958 17.028 2.066 1.00 13.11 H new ATOM 0 HD2 ARG A 647 -6.611 15.444 1.687 1.00 35.00 H new ATOM 0 HD3 ARG A 647 -7.404 16.579 2.761 1.00 35.00 H new ATOM 0 HE ARG A 647 -7.915 17.333 0.038 1.00 33.13 H new ATOM 0 HH11 ARG A 647 -8.978 15.305 2.706 1.00 14.54 H new ATOM 0 HH12 ARG A 647 -10.453 14.784 1.885 1.00 14.54 H new ATOM 0 HH21 ARG A 647 -9.760 16.555 -1.074 1.00 44.33 H new ATOM 0 HH22 ARG A 647 -10.892 15.486 -0.238 1.00 44.33 H new ATOM 963 N SER A 648 -4.505 20.987 3.929 1.00 63.44 N ATOM 964 CA SER A 648 -4.532 22.116 4.820 1.00 24.52 C ATOM 965 C SER A 648 -3.436 23.136 4.461 1.00 41.14 C ATOM 966 O SER A 648 -3.696 24.329 4.398 1.00 15.04 O ATOM 967 CB SER A 648 -4.314 21.633 6.255 1.00 54.24 C ATOM 968 OG SER A 648 -5.241 20.618 6.608 1.00 1.41 O ATOM 0 H SER A 648 -3.996 20.176 4.281 1.00 63.44 H new ATOM 0 HA SER A 648 -5.503 22.603 4.725 1.00 24.52 H new ATOM 0 HB2 SER A 648 -3.298 21.253 6.362 1.00 54.24 H new ATOM 0 HB3 SER A 648 -4.414 22.473 6.942 1.00 54.24 H new ATOM 0 HG SER A 648 -5.182 20.442 7.570 1.00 1.41 H new ATOM 974 N ASP A 649 -2.228 22.655 4.160 1.00 42.41 N ATOM 975 CA ASP A 649 -1.100 23.572 3.918 1.00 72.41 C ATOM 976 C ASP A 649 -0.750 23.631 2.432 1.00 55.31 C ATOM 977 O ASP A 649 0.024 24.473 1.992 1.00 32.10 O ATOM 978 CB ASP A 649 0.114 23.135 4.755 1.00 23.32 C ATOM 979 CG ASP A 649 1.238 24.150 4.763 1.00 33.12 C ATOM 980 OD1 ASP A 649 1.169 25.110 5.562 1.00 21.25 O ATOM 981 OD2 ASP A 649 2.208 23.995 4.011 1.00 3.11 O ATOM 0 H ASP A 649 -2.003 21.663 4.078 1.00 42.41 H new ATOM 0 HA ASP A 649 -1.393 24.576 4.224 1.00 72.41 H new ATOM 0 HB2 ASP A 649 -0.208 22.953 5.780 1.00 23.32 H new ATOM 0 HB3 ASP A 649 0.492 22.189 4.367 1.00 23.32 H new ATOM 986 N ARG A 650 -1.355 22.719 1.673 1.00 70.43 N ATOM 987 CA ARG A 650 -1.227 22.650 0.197 1.00 13.43 C ATOM 988 C ARG A 650 0.178 22.304 -0.303 1.00 3.12 C ATOM 989 O ARG A 650 0.512 22.583 -1.455 1.00 24.04 O ATOM 990 CB ARG A 650 -1.716 23.952 -0.440 1.00 41.45 C ATOM 991 CG ARG A 650 -3.213 24.171 -0.350 1.00 62.44 C ATOM 992 CD ARG A 650 -3.957 23.152 -1.196 1.00 21.33 C ATOM 993 NE ARG A 650 -3.508 23.193 -2.600 1.00 5.43 N ATOM 994 CZ ARG A 650 -3.788 22.270 -3.531 1.00 23.53 C ATOM 995 NH1 ARG A 650 -4.622 21.263 -3.251 1.00 44.43 N ATOM 996 NH2 ARG A 650 -3.250 22.367 -4.748 1.00 34.14 N ATOM 0 H ARG A 650 -1.958 21.993 2.059 1.00 70.43 H new ATOM 0 HA ARG A 650 -1.860 21.819 -0.115 1.00 13.43 H new ATOM 0 HB2 ARG A 650 -1.209 24.789 0.040 1.00 41.45 H new ATOM 0 HB3 ARG A 650 -1.422 23.961 -1.490 1.00 41.45 H new ATOM 0 HG2 ARG A 650 -3.535 24.093 0.688 1.00 62.44 H new ATOM 0 HG3 ARG A 650 -3.459 25.179 -0.686 1.00 62.44 H new ATOM 0 HD2 ARG A 650 -3.798 22.153 -0.790 1.00 21.33 H new ATOM 0 HD3 ARG A 650 -5.028 23.349 -1.148 1.00 21.33 H new ATOM 0 HE ARG A 650 -2.938 23.989 -2.886 1.00 5.43 H new ATOM 0 HH11 ARG A 650 -5.048 21.195 -2.326 1.00 44.43 H new ATOM 0 HH12 ARG A 650 -4.833 20.563 -3.962 1.00 44.43 H new ATOM 0 HH21 ARG A 650 -2.626 23.143 -4.969 1.00 34.14 H new ATOM 0 HH22 ARG A 650 -3.462 21.665 -5.457 1.00 34.14 H new ATOM 1008 N LYS A 651 0.972 21.656 0.513 1.00 72.25 N ATOM 1009 CA LYS A 651 2.256 21.177 0.049 1.00 41.33 C ATOM 1010 C LYS A 651 2.163 19.742 -0.394 1.00 11.23 C ATOM 1011 O LYS A 651 1.106 19.137 -0.328 1.00 0.34 O ATOM 1012 CB LYS A 651 3.326 21.311 1.098 1.00 11.41 C ATOM 1013 CG LYS A 651 3.645 22.725 1.464 1.00 42.10 C ATOM 1014 CD LYS A 651 4.818 22.791 2.413 1.00 1.44 C ATOM 1015 CE LYS A 651 6.093 22.257 1.776 1.00 75.21 C ATOM 1016 NZ LYS A 651 6.464 23.014 0.558 1.00 52.04 N ATOM 0 H LYS A 651 0.759 21.449 1.489 1.00 72.25 H new ATOM 0 HA LYS A 651 2.535 21.802 -0.799 1.00 41.33 H new ATOM 0 HB2 LYS A 651 3.011 20.777 1.994 1.00 11.41 H new ATOM 0 HB3 LYS A 651 4.234 20.825 0.740 1.00 11.41 H new ATOM 0 HG2 LYS A 651 3.870 23.295 0.563 1.00 42.10 H new ATOM 0 HG3 LYS A 651 2.774 23.190 1.925 1.00 42.10 H new ATOM 0 HD2 LYS A 651 4.974 23.823 2.727 1.00 1.44 H new ATOM 0 HD3 LYS A 651 4.592 22.215 3.311 1.00 1.44 H new ATOM 0 HE2 LYS A 651 6.908 22.309 2.498 1.00 75.21 H new ATOM 0 HE3 LYS A 651 5.959 21.205 1.522 1.00 75.21 H new ATOM 0 HZ1 LYS A 651 7.443 22.784 0.291 1.00 52.04 H new ATOM 0 HZ2 LYS A 651 5.823 22.756 -0.220 1.00 52.04 H new ATOM 0 HZ3 LYS A 651 6.387 24.034 0.746 1.00 52.04 H new ATOM 1030 N SER A 652 3.253 19.208 -0.826 1.00 45.32 N ATOM 1031 CA SER A 652 3.301 17.857 -1.299 1.00 4.40 C ATOM 1032 C SER A 652 4.604 17.206 -0.888 1.00 73.10 C ATOM 1033 O SER A 652 5.645 17.875 -0.844 1.00 10.44 O ATOM 1034 CB SER A 652 3.137 17.857 -2.821 1.00 22.31 C ATOM 1035 OG SER A 652 4.056 18.773 -3.438 1.00 4.32 O ATOM 0 H SER A 652 4.147 19.697 -0.864 1.00 45.32 H new ATOM 0 HA SER A 652 2.490 17.279 -0.857 1.00 4.40 H new ATOM 0 HB2 SER A 652 3.305 16.852 -3.208 1.00 22.31 H new ATOM 0 HB3 SER A 652 2.115 18.132 -3.080 1.00 22.31 H new ATOM 0 HG SER A 652 3.934 18.754 -4.410 1.00 4.32 H new ATOM 1041 N TRP A 653 4.548 15.934 -0.548 1.00 32.44 N ATOM 1042 CA TRP A 653 5.736 15.179 -0.181 1.00 54.44 C ATOM 1043 C TRP A 653 5.603 13.784 -0.646 1.00 43.05 C ATOM 1044 O TRP A 653 4.531 13.173 -0.601 1.00 42.23 O ATOM 1045 CB TRP A 653 5.982 15.102 1.327 1.00 31.22 C ATOM 1046 CG TRP A 653 6.132 16.376 2.092 1.00 31.31 C ATOM 1047 CD1 TRP A 653 7.294 16.993 2.444 1.00 61.04 C ATOM 1048 CD2 TRP A 653 5.082 17.155 2.639 1.00 13.14 C ATOM 1049 NE1 TRP A 653 7.026 18.099 3.203 1.00 73.34 N ATOM 1050 CE2 TRP A 653 5.666 18.231 3.321 1.00 51.42 C ATOM 1051 CE3 TRP A 653 3.704 17.043 2.613 1.00 40.10 C ATOM 1052 CZ2 TRP A 653 4.904 19.191 3.976 1.00 24.53 C ATOM 1053 CZ3 TRP A 653 2.951 17.979 3.249 1.00 10.02 C ATOM 1054 CH2 TRP A 653 3.543 19.049 3.931 1.00 33.11 C ATOM 0 H TRP A 653 3.683 15.394 -0.517 1.00 32.44 H new ATOM 0 HA TRP A 653 6.567 15.709 -0.647 1.00 54.44 H new ATOM 0 HB2 TRP A 653 5.156 14.545 1.769 1.00 31.22 H new ATOM 0 HB3 TRP A 653 6.885 14.512 1.486 1.00 31.22 H new ATOM 0 HD1 TRP A 653 8.282 16.658 2.165 1.00 61.04 H new ATOM 0 HE1 TRP A 653 7.722 18.722 3.613 1.00 73.34 H new ATOM 0 HE3 TRP A 653 3.232 16.222 2.094 1.00 40.10 H new ATOM 0 HZ2 TRP A 653 5.366 20.015 4.499 1.00 24.53 H new ATOM 0 HZ3 TRP A 653 1.874 17.896 3.228 1.00 10.02 H new ATOM 0 HH2 TRP A 653 2.916 19.774 4.429 1.00 33.11 H new ATOM 1065 N ASN A 654 6.683 13.298 -1.054 1.00 71.34 N ATOM 1066 CA ASN A 654 6.860 11.968 -1.459 1.00 31.44 C ATOM 1067 C ASN A 654 7.235 11.146 -0.224 1.00 21.44 C ATOM 1068 O ASN A 654 8.180 11.495 0.508 1.00 14.43 O ATOM 1069 CB ASN A 654 7.960 12.020 -2.487 1.00 2.43 C ATOM 1070 CG ASN A 654 8.478 10.728 -2.970 1.00 42.14 C ATOM 1071 OD1 ASN A 654 7.804 9.707 -2.967 1.00 12.32 O ATOM 1072 ND2 ASN A 654 9.674 10.789 -3.424 1.00 71.03 N ATOM 0 H ASN A 654 7.537 13.851 -1.123 1.00 71.34 H new ATOM 0 HA ASN A 654 5.974 11.502 -1.891 1.00 31.44 H new ATOM 0 HB2 ASN A 654 7.596 12.583 -3.346 1.00 2.43 H new ATOM 0 HB3 ASN A 654 8.792 12.584 -2.066 1.00 2.43 H new ATOM 0 HD21 ASN A 654 10.116 9.955 -3.811 1.00 71.03 H new ATOM 0 HD22 ASN A 654 10.185 11.672 -3.398 1.00 71.03 H new ATOM 1078 N LEU A 655 6.479 10.093 0.042 1.00 44.23 N ATOM 1079 CA LEU A 655 6.695 9.284 1.241 1.00 71.13 C ATOM 1080 C LEU A 655 7.538 8.085 0.954 1.00 12.15 C ATOM 1081 O LEU A 655 7.889 7.339 1.862 1.00 52.25 O ATOM 1082 CB LEU A 655 5.391 8.818 1.904 1.00 54.03 C ATOM 1083 CG LEU A 655 4.402 9.873 2.393 1.00 52.11 C ATOM 1084 CD1 LEU A 655 3.585 10.407 1.311 1.00 2.12 C ATOM 1085 CD2 LEU A 655 3.547 9.382 3.525 1.00 64.31 C ATOM 0 H LEU A 655 5.712 9.776 -0.551 1.00 44.23 H new ATOM 0 HA LEU A 655 7.213 9.946 1.935 1.00 71.13 H new ATOM 0 HB2 LEU A 655 4.868 8.179 1.193 1.00 54.03 H new ATOM 0 HB3 LEU A 655 5.658 8.194 2.757 1.00 54.03 H new ATOM 0 HG LEU A 655 5.008 10.692 2.781 1.00 52.11 H new ATOM 0 HD11 LEU A 655 2.897 11.154 1.709 1.00 2.12 H new ATOM 0 HD12 LEU A 655 4.229 10.869 0.563 1.00 2.12 H new ATOM 0 HD13 LEU A 655 3.017 9.599 0.851 1.00 2.12 H new ATOM 0 HD21 LEU A 655 2.862 10.172 3.833 1.00 64.31 H new ATOM 0 HD22 LEU A 655 2.975 8.513 3.199 1.00 64.31 H new ATOM 0 HD23 LEU A 655 4.182 9.103 4.366 1.00 64.31 H new ATOM 1093 N GLY A 656 7.853 7.883 -0.285 1.00 64.24 N ATOM 1094 CA GLY A 656 8.678 6.790 -0.619 1.00 55.34 C ATOM 1095 C GLY A 656 8.734 6.548 -2.077 1.00 54.31 C ATOM 1096 O GLY A 656 7.716 6.653 -2.786 1.00 62.33 O ATOM 0 H GLY A 656 7.550 8.460 -1.069 1.00 64.24 H new ATOM 0 HA2 GLY A 656 9.686 6.972 -0.245 1.00 55.34 H new ATOM 0 HA3 GLY A 656 8.309 5.894 -0.119 1.00 55.34 H new ATOM 1100 N ARG A 657 9.899 6.220 -2.538 1.00 13.34 N ATOM 1101 CA ARG A 657 10.104 5.953 -3.907 1.00 33.34 C ATOM 1102 C ARG A 657 9.765 4.501 -4.147 1.00 52.33 C ATOM 1103 O ARG A 657 10.140 3.632 -3.350 1.00 60.31 O ATOM 1104 CB ARG A 657 11.533 6.297 -4.315 1.00 62.12 C ATOM 1105 CG ARG A 657 11.800 6.177 -5.800 1.00 21.41 C ATOM 1106 CD ARG A 657 13.168 6.713 -6.142 1.00 40.11 C ATOM 1107 NE ARG A 657 13.441 6.659 -7.577 1.00 1.42 N ATOM 1108 CZ ARG A 657 14.144 7.577 -8.255 1.00 60.30 C ATOM 1109 NH1 ARG A 657 14.617 8.665 -7.635 1.00 55.50 N ATOM 1110 NH2 ARG A 657 14.363 7.411 -9.545 1.00 33.34 N ATOM 0 H ARG A 657 10.736 6.132 -1.961 1.00 13.34 H new ATOM 0 HA ARG A 657 9.459 6.575 -4.527 1.00 33.34 H new ATOM 0 HB2 ARG A 657 11.754 7.316 -3.999 1.00 62.12 H new ATOM 0 HB3 ARG A 657 12.220 5.641 -3.780 1.00 62.12 H new ATOM 0 HG2 ARG A 657 11.727 5.133 -6.104 1.00 21.41 H new ATOM 0 HG3 ARG A 657 11.040 6.725 -6.356 1.00 21.41 H new ATOM 0 HD2 ARG A 657 13.249 7.744 -5.797 1.00 40.11 H new ATOM 0 HD3 ARG A 657 13.925 6.138 -5.608 1.00 40.11 H new ATOM 0 HE ARG A 657 13.070 5.866 -8.100 1.00 1.42 H new ATOM 0 HH11 ARG A 657 14.443 8.800 -6.639 1.00 55.50 H new ATOM 0 HH12 ARG A 657 15.151 9.359 -8.159 1.00 55.50 H new ATOM 0 HH21 ARG A 657 13.998 6.587 -10.022 1.00 33.34 H new ATOM 0 HH22 ARG A 657 14.897 8.107 -10.065 1.00 33.34 H new ATOM 1122 N SER A 658 9.066 4.265 -5.222 1.00 71.53 N ATOM 1123 CA SER A 658 8.482 2.999 -5.562 1.00 32.51 C ATOM 1124 C SER A 658 9.384 1.803 -5.379 1.00 33.40 C ATOM 1125 O SER A 658 10.541 1.781 -5.822 1.00 53.31 O ATOM 1126 CB SER A 658 7.932 3.052 -6.961 1.00 31.23 C ATOM 1127 OG SER A 658 8.919 3.455 -7.903 1.00 64.04 O ATOM 0 H SER A 658 8.879 4.986 -5.919 1.00 71.53 H new ATOM 0 HA SER A 658 7.678 2.842 -4.843 1.00 32.51 H new ATOM 0 HB2 SER A 658 7.546 2.071 -7.237 1.00 31.23 H new ATOM 0 HB3 SER A 658 7.092 3.746 -6.995 1.00 31.23 H new ATOM 0 HG SER A 658 9.087 4.416 -7.810 1.00 64.04 H new ATOM 1133 N ASN A 659 8.836 0.838 -4.725 1.00 53.43 N ATOM 1134 CA ASN A 659 9.451 -0.422 -4.455 1.00 33.41 C ATOM 1135 C ASN A 659 8.304 -1.393 -4.341 1.00 1.51 C ATOM 1136 O ASN A 659 7.136 -0.974 -4.426 1.00 32.53 O ATOM 1137 CB ASN A 659 10.296 -0.375 -3.139 1.00 12.13 C ATOM 1138 CG ASN A 659 9.472 -0.303 -1.862 1.00 70.54 C ATOM 1139 OD1 ASN A 659 8.373 0.123 -1.859 1.00 30.04 O ATOM 1140 ND2 ASN A 659 10.044 -0.670 -0.767 1.00 40.14 N ATOM 0 H ASN A 659 7.894 0.908 -4.341 1.00 53.43 H new ATOM 0 HA ASN A 659 10.152 -0.711 -5.238 1.00 33.41 H new ATOM 0 HB2 ASN A 659 10.930 -1.261 -3.098 1.00 12.13 H new ATOM 0 HB3 ASN A 659 10.958 0.490 -3.178 1.00 12.13 H new ATOM 0 HD21 ASN A 659 9.545 -0.594 0.119 1.00 40.14 H new ATOM 0 HD22 ASN A 659 10.996 -1.037 -0.787 1.00 40.14 H new ATOM 1146 N ALA A 660 8.572 -2.641 -4.211 1.00 75.33 N ATOM 1147 CA ALA A 660 7.506 -3.586 -4.083 1.00 64.44 C ATOM 1148 C ALA A 660 7.749 -4.519 -2.908 1.00 15.52 C ATOM 1149 O ALA A 660 7.257 -5.659 -2.892 1.00 1.13 O ATOM 1150 CB ALA A 660 7.352 -4.329 -5.381 1.00 73.43 C ATOM 0 H ALA A 660 9.512 -3.038 -4.190 1.00 75.33 H new ATOM 0 HA ALA A 660 6.572 -3.065 -3.874 1.00 64.44 H new ATOM 0 HB1 ALA A 660 6.541 -5.052 -5.292 1.00 73.43 H new ATOM 0 HB2 ALA A 660 7.123 -3.623 -6.179 1.00 73.43 H new ATOM 0 HB3 ALA A 660 8.280 -4.851 -5.614 1.00 73.43 H new ATOM 1156 N LYS A 661 8.494 -4.028 -1.915 1.00 2.05 N ATOM 1157 CA LYS A 661 8.774 -4.804 -0.716 1.00 15.12 C ATOM 1158 C LYS A 661 7.558 -5.004 0.146 1.00 33.32 C ATOM 1159 O LYS A 661 7.120 -4.086 0.858 1.00 73.51 O ATOM 1160 CB LYS A 661 9.889 -4.217 0.180 1.00 1.23 C ATOM 1161 CG LYS A 661 11.329 -4.528 -0.200 1.00 44.31 C ATOM 1162 CD LYS A 661 11.817 -3.847 -1.445 1.00 41.12 C ATOM 1163 CE LYS A 661 13.277 -4.228 -1.699 1.00 53.05 C ATOM 1164 NZ LYS A 661 14.155 -3.938 -0.515 1.00 55.10 N ATOM 0 H LYS A 661 8.911 -3.097 -1.922 1.00 2.05 H new ATOM 0 HA LYS A 661 9.116 -5.758 -1.118 1.00 15.12 H new ATOM 0 HB2 LYS A 661 9.772 -3.133 0.197 1.00 1.23 H new ATOM 0 HB3 LYS A 661 9.725 -4.572 1.198 1.00 1.23 H new ATOM 0 HG2 LYS A 661 11.977 -4.244 0.629 1.00 44.31 H new ATOM 0 HG3 LYS A 661 11.430 -5.606 -0.330 1.00 44.31 H new ATOM 0 HD2 LYS A 661 11.201 -4.138 -2.296 1.00 41.12 H new ATOM 0 HD3 LYS A 661 11.726 -2.766 -1.340 1.00 41.12 H new ATOM 0 HE2 LYS A 661 13.337 -5.289 -1.942 1.00 53.05 H new ATOM 0 HE3 LYS A 661 13.648 -3.681 -2.566 1.00 53.05 H new ATOM 0 HZ1 LYS A 661 15.143 -3.850 -0.828 1.00 55.10 H new ATOM 0 HZ2 LYS A 661 13.853 -3.048 -0.069 1.00 55.10 H new ATOM 0 HZ3 LYS A 661 14.078 -4.714 0.173 1.00 55.10 H new ATOM 1178 N LEU A 662 7.012 -6.181 0.089 1.00 63.30 N ATOM 1179 CA LEU A 662 5.987 -6.545 1.006 1.00 4.24 C ATOM 1180 C LEU A 662 6.671 -7.038 2.246 1.00 11.52 C ATOM 1181 O LEU A 662 7.614 -7.809 2.165 1.00 42.04 O ATOM 1182 CB LEU A 662 5.071 -7.637 0.456 1.00 34.10 C ATOM 1183 CG LEU A 662 4.230 -7.315 -0.760 1.00 23.44 C ATOM 1184 CD1 LEU A 662 3.273 -8.446 -1.020 1.00 53.14 C ATOM 1185 CD2 LEU A 662 3.483 -6.023 -0.591 1.00 51.44 C ATOM 0 H LEU A 662 7.263 -6.903 -0.586 1.00 63.30 H new ATOM 0 HA LEU A 662 5.353 -5.680 1.201 1.00 4.24 H new ATOM 0 HB2 LEU A 662 5.690 -8.501 0.214 1.00 34.10 H new ATOM 0 HB3 LEU A 662 4.397 -7.942 1.257 1.00 34.10 H new ATOM 0 HG LEU A 662 4.895 -7.195 -1.615 1.00 23.44 H new ATOM 0 HD11 LEU A 662 2.666 -8.215 -1.896 1.00 53.14 H new ATOM 0 HD12 LEU A 662 3.834 -9.363 -1.198 1.00 53.14 H new ATOM 0 HD13 LEU A 662 2.624 -8.580 -0.154 1.00 53.14 H new ATOM 0 HD21 LEU A 662 2.891 -5.826 -1.484 1.00 51.44 H new ATOM 0 HD22 LEU A 662 2.823 -6.095 0.274 1.00 51.44 H new ATOM 0 HD23 LEU A 662 4.193 -5.210 -0.439 1.00 51.44 H new ATOM 1193 N SER A 663 6.242 -6.593 3.358 1.00 10.22 N ATOM 1194 CA SER A 663 6.854 -6.962 4.592 1.00 12.01 C ATOM 1195 C SER A 663 5.913 -7.890 5.348 1.00 72.54 C ATOM 1196 O SER A 663 4.728 -7.901 5.081 1.00 2.32 O ATOM 1197 CB SER A 663 7.148 -5.696 5.380 1.00 11.42 C ATOM 1198 OG SER A 663 7.931 -4.796 4.599 1.00 12.24 O ATOM 0 H SER A 663 5.450 -5.957 3.452 1.00 10.22 H new ATOM 0 HA SER A 663 7.792 -7.492 4.428 1.00 12.01 H new ATOM 0 HB2 SER A 663 6.214 -5.216 5.672 1.00 11.42 H new ATOM 0 HB3 SER A 663 7.678 -5.947 6.299 1.00 11.42 H new ATOM 0 HG SER A 663 7.765 -3.877 4.895 1.00 12.24 H new ATOM 1204 N TYR A 664 6.431 -8.694 6.226 1.00 51.21 N ATOM 1205 CA TYR A 664 5.598 -9.579 6.985 1.00 35.50 C ATOM 1206 C TYR A 664 5.997 -9.483 8.434 1.00 43.45 C ATOM 1207 O TYR A 664 7.142 -9.749 8.779 1.00 42.52 O ATOM 1208 CB TYR A 664 5.781 -11.002 6.481 1.00 2.35 C ATOM 1209 CG TYR A 664 4.646 -11.934 6.798 1.00 74.13 C ATOM 1210 CD1 TYR A 664 3.463 -11.867 6.062 1.00 65.33 C ATOM 1211 CD2 TYR A 664 4.747 -12.891 7.792 1.00 72.50 C ATOM 1212 CE1 TYR A 664 2.421 -12.718 6.312 1.00 3.20 C ATOM 1213 CE2 TYR A 664 3.705 -13.757 8.043 1.00 44.12 C ATOM 1214 CZ TYR A 664 2.541 -13.665 7.302 1.00 65.30 C ATOM 1215 OH TYR A 664 1.493 -14.533 7.550 1.00 53.24 O ATOM 0 H TYR A 664 7.427 -8.756 6.435 1.00 51.21 H new ATOM 0 HA TYR A 664 4.549 -9.303 6.875 1.00 35.50 H new ATOM 0 HB2 TYR A 664 5.919 -10.975 5.400 1.00 2.35 H new ATOM 0 HB3 TYR A 664 6.697 -11.409 6.909 1.00 2.35 H new ATOM 0 HD1 TYR A 664 3.368 -11.129 5.279 1.00 65.33 H new ATOM 0 HD2 TYR A 664 5.652 -12.960 8.377 1.00 72.50 H new ATOM 0 HE1 TYR A 664 1.510 -12.646 5.736 1.00 3.20 H new ATOM 0 HE2 TYR A 664 3.797 -14.505 8.816 1.00 44.12 H new ATOM 0 HH TYR A 664 1.396 -15.152 6.797 1.00 53.24 H new ATOM 1225 N TYR A 665 5.086 -9.070 9.261 1.00 13.05 N ATOM 1226 CA TYR A 665 5.349 -8.959 10.668 1.00 55.40 C ATOM 1227 C TYR A 665 4.597 -10.042 11.393 1.00 34.21 C ATOM 1228 O TYR A 665 3.388 -9.913 11.637 1.00 11.50 O ATOM 1229 CB TYR A 665 4.964 -7.566 11.187 1.00 33.45 C ATOM 1230 CG TYR A 665 5.236 -7.315 12.667 1.00 73.14 C ATOM 1231 CD1 TYR A 665 6.528 -7.110 13.137 1.00 23.44 C ATOM 1232 CD2 TYR A 665 4.191 -7.276 13.586 1.00 44.45 C ATOM 1233 CE1 TYR A 665 6.772 -6.873 14.479 1.00 65.23 C ATOM 1234 CE2 TYR A 665 4.427 -7.038 14.926 1.00 53.23 C ATOM 1235 CZ TYR A 665 5.718 -6.837 15.367 1.00 12.12 C ATOM 1236 OH TYR A 665 5.954 -6.597 16.708 1.00 15.24 O ATOM 0 H TYR A 665 4.142 -8.801 8.984 1.00 13.05 H new ATOM 0 HA TYR A 665 6.416 -9.085 10.851 1.00 55.40 H new ATOM 0 HB2 TYR A 665 5.504 -6.819 10.605 1.00 33.45 H new ATOM 0 HB3 TYR A 665 3.902 -7.409 11.000 1.00 33.45 H new ATOM 0 HD1 TYR A 665 7.356 -7.136 12.444 1.00 23.44 H new ATOM 0 HD2 TYR A 665 3.178 -7.435 13.245 1.00 44.45 H new ATOM 0 HE1 TYR A 665 7.782 -6.717 14.828 1.00 65.23 H new ATOM 0 HE2 TYR A 665 3.604 -7.009 15.625 1.00 53.23 H new ATOM 0 HH TYR A 665 5.104 -6.603 17.196 1.00 15.24 H new ATOM 1246 N ASP A 666 5.299 -11.142 11.643 1.00 41.31 N ATOM 1247 CA ASP A 666 4.805 -12.332 12.372 1.00 63.44 C ATOM 1248 C ASP A 666 3.742 -13.101 11.598 1.00 52.32 C ATOM 1249 O ASP A 666 3.910 -14.297 11.302 1.00 0.24 O ATOM 1250 CB ASP A 666 4.310 -11.988 13.778 1.00 4.14 C ATOM 1251 CG ASP A 666 3.834 -13.213 14.526 1.00 21.22 C ATOM 1252 OD1 ASP A 666 4.681 -14.005 14.992 1.00 51.45 O ATOM 1253 OD2 ASP A 666 2.616 -13.404 14.669 1.00 1.44 O ATOM 0 H ASP A 666 6.266 -11.245 11.337 1.00 41.31 H new ATOM 0 HA ASP A 666 5.668 -12.990 12.474 1.00 63.44 H new ATOM 0 HB2 ASP A 666 5.114 -11.510 14.339 1.00 4.14 H new ATOM 0 HB3 ASP A 666 3.496 -11.266 13.709 1.00 4.14 H new ATOM 1258 N GLY A 667 2.657 -12.436 11.288 1.00 64.44 N ATOM 1259 CA GLY A 667 1.603 -13.048 10.550 1.00 44.21 C ATOM 1260 C GLY A 667 0.769 -12.058 9.779 1.00 64.31 C ATOM 1261 O GLY A 667 -0.230 -12.432 9.160 1.00 54.43 O ATOM 0 H GLY A 667 2.489 -11.463 11.542 1.00 64.44 H new ATOM 0 HA2 GLY A 667 2.027 -13.774 9.857 1.00 44.21 H new ATOM 0 HA3 GLY A 667 0.960 -13.600 11.236 1.00 44.21 H new ATOM 1265 N MET A 668 1.156 -10.797 9.804 1.00 13.32 N ATOM 1266 CA MET A 668 0.442 -9.790 9.058 1.00 62.52 C ATOM 1267 C MET A 668 1.338 -9.216 7.998 1.00 51.42 C ATOM 1268 O MET A 668 2.530 -8.992 8.239 1.00 44.24 O ATOM 1269 CB MET A 668 -0.104 -8.647 9.952 1.00 61.50 C ATOM 1270 CG MET A 668 -1.126 -9.064 11.020 1.00 24.42 C ATOM 1271 SD MET A 668 -0.427 -10.039 12.378 1.00 44.34 S ATOM 1272 CE MET A 668 0.684 -8.843 13.128 1.00 53.31 C ATOM 0 H MET A 668 1.958 -10.451 10.331 1.00 13.32 H new ATOM 0 HA MET A 668 -0.420 -10.281 8.606 1.00 62.52 H new ATOM 0 HB2 MET A 668 0.738 -8.167 10.450 1.00 61.50 H new ATOM 0 HB3 MET A 668 -0.564 -7.897 9.309 1.00 61.50 H new ATOM 0 HG2 MET A 668 -1.590 -8.168 11.432 1.00 24.42 H new ATOM 0 HG3 MET A 668 -1.918 -9.642 10.543 1.00 24.42 H new ATOM 0 HE1 MET A 668 1.107 -9.262 14.041 1.00 53.31 H new ATOM 0 HE2 MET A 668 1.488 -8.606 12.431 1.00 53.31 H new ATOM 0 HE3 MET A 668 0.132 -7.934 13.368 1.00 53.31 H new ATOM 1282 N ILE A 669 0.788 -9.003 6.830 1.00 13.24 N ATOM 1283 CA ILE A 669 1.516 -8.399 5.739 1.00 30.05 C ATOM 1284 C ILE A 669 1.618 -6.893 5.984 1.00 31.23 C ATOM 1285 O ILE A 669 0.703 -6.288 6.502 1.00 0.22 O ATOM 1286 CB ILE A 669 0.856 -8.644 4.319 1.00 3.31 C ATOM 1287 CG1 ILE A 669 0.890 -10.104 3.852 1.00 73.21 C ATOM 1288 CG2 ILE A 669 1.467 -7.760 3.237 1.00 53.51 C ATOM 1289 CD1 ILE A 669 -0.059 -11.056 4.545 1.00 24.01 C ATOM 0 H ILE A 669 -0.178 -9.243 6.606 1.00 13.24 H new ATOM 0 HA ILE A 669 2.498 -8.873 5.716 1.00 30.05 H new ATOM 0 HB ILE A 669 -0.189 -8.373 4.466 1.00 3.31 H new ATOM 0 HG12 ILE A 669 0.675 -10.126 2.784 1.00 73.21 H new ATOM 0 HG13 ILE A 669 1.905 -10.480 3.981 1.00 73.21 H new ATOM 0 HG21 ILE A 669 0.982 -7.965 2.283 1.00 53.51 H new ATOM 0 HG22 ILE A 669 1.323 -6.712 3.499 1.00 53.51 H new ATOM 0 HG23 ILE A 669 2.533 -7.971 3.154 1.00 53.51 H new ATOM 0 HD11 ILE A 669 0.059 -12.056 4.127 1.00 24.01 H new ATOM 0 HD12 ILE A 669 0.164 -11.079 5.612 1.00 24.01 H new ATOM 0 HD13 ILE A 669 -1.085 -10.720 4.396 1.00 24.01 H new ATOM 1296 N GLN A 670 2.731 -6.327 5.684 1.00 72.33 N ATOM 1297 CA GLN A 670 2.900 -4.914 5.745 1.00 25.10 C ATOM 1298 C GLN A 670 3.527 -4.447 4.441 1.00 41.33 C ATOM 1299 O GLN A 670 3.907 -5.263 3.610 1.00 64.14 O ATOM 1300 CB GLN A 670 3.739 -4.474 6.953 1.00 4.14 C ATOM 1301 CG GLN A 670 3.195 -4.929 8.296 1.00 20.21 C ATOM 1302 CD GLN A 670 3.913 -4.291 9.453 1.00 31.14 C ATOM 1303 OE1 GLN A 670 4.919 -4.791 9.921 1.00 33.52 O ATOM 1304 NE2 GLN A 670 3.381 -3.206 9.950 1.00 40.35 N ATOM 0 H GLN A 670 3.563 -6.836 5.385 1.00 72.33 H new ATOM 0 HA GLN A 670 1.922 -4.451 5.877 1.00 25.10 H new ATOM 0 HB2 GLN A 670 4.752 -4.859 6.836 1.00 4.14 H new ATOM 0 HB3 GLN A 670 3.810 -3.386 6.953 1.00 4.14 H new ATOM 0 HG2 GLN A 670 2.133 -4.689 8.355 1.00 20.21 H new ATOM 0 HG3 GLN A 670 3.282 -6.013 8.371 1.00 20.21 H new ATOM 0 HE21 GLN A 670 2.537 -2.814 9.532 1.00 40.35 H new ATOM 0 HE22 GLN A 670 3.810 -2.751 10.756 1.00 40.35 H new ATOM 1312 N LEU A 671 3.641 -3.177 4.266 1.00 64.33 N ATOM 1313 CA LEU A 671 4.185 -2.610 3.040 1.00 14.43 C ATOM 1314 C LEU A 671 5.041 -1.451 3.425 1.00 0.25 C ATOM 1315 O LEU A 671 4.567 -0.535 4.097 1.00 53.23 O ATOM 1316 CB LEU A 671 3.039 -2.173 2.121 1.00 55.13 C ATOM 1317 CG LEU A 671 3.397 -1.504 0.781 1.00 12.34 C ATOM 1318 CD1 LEU A 671 4.219 -2.421 -0.107 1.00 72.23 C ATOM 1319 CD2 LEU A 671 2.133 -1.106 0.061 1.00 32.05 C ATOM 0 H LEU A 671 3.364 -2.483 4.960 1.00 64.33 H new ATOM 0 HA LEU A 671 4.781 -3.342 2.495 1.00 14.43 H new ATOM 0 HB2 LEU A 671 2.433 -3.052 1.903 1.00 55.13 H new ATOM 0 HB3 LEU A 671 2.408 -1.482 2.680 1.00 55.13 H new ATOM 0 HG LEU A 671 3.999 -0.622 1.000 1.00 12.34 H new ATOM 0 HD11 LEU A 671 4.450 -1.911 -1.042 1.00 72.23 H new ATOM 0 HD12 LEU A 671 5.146 -2.684 0.401 1.00 72.23 H new ATOM 0 HD13 LEU A 671 3.651 -3.327 -0.319 1.00 72.23 H new ATOM 0 HD21 LEU A 671 2.388 -0.633 -0.887 1.00 32.05 H new ATOM 0 HD22 LEU A 671 1.527 -1.992 -0.127 1.00 32.05 H new ATOM 0 HD23 LEU A 671 1.569 -0.405 0.676 1.00 32.05 H new ATOM 1327 N THR A 672 6.277 -1.477 3.022 1.00 70.23 N ATOM 1328 CA THR A 672 7.206 -0.489 3.474 1.00 42.14 C ATOM 1329 C THR A 672 7.738 0.341 2.311 1.00 71.32 C ATOM 1330 O THR A 672 8.429 -0.179 1.432 1.00 44.12 O ATOM 1331 CB THR A 672 8.400 -1.176 4.196 1.00 64.34 C ATOM 1332 OG1 THR A 672 7.904 -2.063 5.218 1.00 64.11 O ATOM 1333 CG2 THR A 672 9.313 -0.139 4.844 1.00 44.51 C ATOM 0 H THR A 672 6.663 -2.171 2.382 1.00 70.23 H new ATOM 0 HA THR A 672 6.682 0.172 4.164 1.00 42.14 H new ATOM 0 HB THR A 672 8.969 -1.736 3.454 1.00 64.34 H new ATOM 0 HG1 THR A 672 8.657 -2.422 5.733 1.00 64.11 H new ATOM 0 HG21 THR A 672 10.140 -0.644 5.343 1.00 44.51 H new ATOM 0 HG22 THR A 672 9.705 0.530 4.078 1.00 44.51 H new ATOM 0 HG23 THR A 672 8.747 0.438 5.575 1.00 44.51 H new ATOM 1339 N TYR A 673 7.417 1.609 2.314 1.00 5.54 N ATOM 1340 CA TYR A 673 7.963 2.534 1.339 1.00 62.41 C ATOM 1341 C TYR A 673 9.077 3.335 1.940 1.00 60.22 C ATOM 1342 O TYR A 673 8.937 3.890 3.035 1.00 43.14 O ATOM 1343 CB TYR A 673 6.911 3.444 0.705 1.00 22.32 C ATOM 1344 CG TYR A 673 6.083 2.761 -0.343 1.00 54.13 C ATOM 1345 CD1 TYR A 673 6.673 2.360 -1.522 1.00 33.11 C ATOM 1346 CD2 TYR A 673 4.729 2.534 -0.178 1.00 41.12 C ATOM 1347 CE1 TYR A 673 5.955 1.744 -2.514 1.00 53.10 C ATOM 1348 CE2 TYR A 673 3.996 1.911 -1.173 1.00 64.11 C ATOM 1349 CZ TYR A 673 4.629 1.514 -2.344 1.00 13.02 C ATOM 1350 OH TYR A 673 3.916 0.904 -3.344 1.00 51.23 O ATOM 0 H TYR A 673 6.775 2.033 2.984 1.00 5.54 H new ATOM 0 HA TYR A 673 8.359 1.926 0.526 1.00 62.41 H new ATOM 0 HB2 TYR A 673 6.253 3.824 1.486 1.00 22.32 H new ATOM 0 HB3 TYR A 673 7.408 4.306 0.260 1.00 22.32 H new ATOM 0 HD1 TYR A 673 7.729 2.536 -1.668 1.00 33.11 H new ATOM 0 HD2 TYR A 673 4.240 2.845 0.733 1.00 41.12 H new ATOM 0 HE1 TYR A 673 6.444 1.443 -3.429 1.00 53.10 H new ATOM 0 HE2 TYR A 673 2.939 1.735 -1.040 1.00 64.11 H new ATOM 0 HH TYR A 673 3.142 0.442 -2.959 1.00 51.23 H new ATOM 1360 N ARG A 674 10.183 3.380 1.236 1.00 41.44 N ATOM 1361 CA ARG A 674 11.390 4.027 1.706 1.00 22.44 C ATOM 1362 C ARG A 674 11.855 5.051 0.681 1.00 53.31 C ATOM 1363 O ARG A 674 11.260 5.157 -0.390 1.00 35.14 O ATOM 1364 CB ARG A 674 12.480 2.974 1.884 1.00 52.43 C ATOM 1365 CG ARG A 674 12.123 1.843 2.829 1.00 60.41 C ATOM 1366 CD ARG A 674 13.262 0.850 2.937 1.00 5.43 C ATOM 1367 NE ARG A 674 14.474 1.475 3.470 1.00 52.31 N ATOM 1368 CZ ARG A 674 15.714 0.993 3.330 1.00 72.03 C ATOM 1369 NH1 ARG A 674 15.933 -0.136 2.647 1.00 3.14 N ATOM 1370 NH2 ARG A 674 16.733 1.636 3.878 1.00 52.20 N ATOM 0 H ARG A 674 10.274 2.964 0.309 1.00 41.44 H new ATOM 0 HA ARG A 674 11.190 4.526 2.654 1.00 22.44 H new ATOM 0 HB2 ARG A 674 12.720 2.551 0.908 1.00 52.43 H new ATOM 0 HB3 ARG A 674 13.382 3.464 2.250 1.00 52.43 H new ATOM 0 HG2 ARG A 674 11.892 2.246 3.815 1.00 60.41 H new ATOM 0 HG3 ARG A 674 11.226 1.336 2.474 1.00 60.41 H new ATOM 0 HD2 ARG A 674 12.965 0.023 3.582 1.00 5.43 H new ATOM 0 HD3 ARG A 674 13.472 0.428 1.954 1.00 5.43 H new ATOM 0 HE ARG A 674 14.364 2.346 3.989 1.00 52.31 H new ATOM 0 HH11 ARG A 674 15.151 -0.638 2.227 1.00 3.14 H new ATOM 0 HH12 ARG A 674 16.882 -0.495 2.546 1.00 3.14 H new ATOM 0 HH21 ARG A 674 16.571 2.495 4.404 1.00 52.20 H new ATOM 0 HH22 ARG A 674 17.680 1.273 3.774 1.00 52.20 H new ATOM 1382 N ASP A 675 12.921 5.796 1.009 1.00 73.01 N ATOM 1383 CA ASP A 675 13.519 6.806 0.089 1.00 23.35 C ATOM 1384 C ASP A 675 12.619 8.000 -0.151 1.00 0.42 C ATOM 1385 O ASP A 675 12.749 8.697 -1.167 1.00 23.23 O ATOM 1386 CB ASP A 675 13.965 6.191 -1.258 1.00 14.24 C ATOM 1387 CG ASP A 675 15.192 5.330 -1.141 1.00 61.15 C ATOM 1388 OD1 ASP A 675 15.080 4.143 -0.760 1.00 23.44 O ATOM 1389 OD2 ASP A 675 16.310 5.830 -1.446 1.00 0.04 O ATOM 0 H ASP A 675 13.398 5.726 1.908 1.00 73.01 H new ATOM 0 HA ASP A 675 14.408 7.166 0.608 1.00 23.35 H new ATOM 0 HB2 ASP A 675 13.149 5.595 -1.665 1.00 14.24 H new ATOM 0 HB3 ASP A 675 14.159 6.994 -1.969 1.00 14.24 H new ATOM 1394 N GLY A 676 11.736 8.263 0.789 1.00 32.21 N ATOM 1395 CA GLY A 676 10.878 9.409 0.694 1.00 35.44 C ATOM 1396 C GLY A 676 11.621 10.712 0.955 1.00 72.11 C ATOM 1397 O GLY A 676 12.837 10.722 1.189 1.00 71.41 O ATOM 0 H GLY A 676 11.599 7.695 1.625 1.00 32.21 H new ATOM 0 HA2 GLY A 676 10.429 9.442 -0.299 1.00 35.44 H new ATOM 0 HA3 GLY A 676 10.062 9.309 1.410 1.00 35.44 H new ATOM 1401 N THR A 677 10.907 11.789 0.920 1.00 73.21 N ATOM 1402 CA THR A 677 11.465 13.097 1.153 1.00 72.03 C ATOM 1403 C THR A 677 11.753 13.282 2.663 1.00 74.31 C ATOM 1404 O THR A 677 10.897 12.997 3.481 1.00 50.33 O ATOM 1405 CB THR A 677 10.438 14.163 0.691 1.00 42.55 C ATOM 1406 OG1 THR A 677 10.058 13.892 -0.659 1.00 55.45 O ATOM 1407 CG2 THR A 677 11.006 15.570 0.778 1.00 24.23 C ATOM 0 H THR A 677 9.905 11.794 0.727 1.00 73.21 H new ATOM 0 HA THR A 677 12.396 13.206 0.597 1.00 72.03 H new ATOM 0 HB THR A 677 9.574 14.108 1.353 1.00 42.55 H new ATOM 0 HG1 THR A 677 9.407 14.562 -0.956 1.00 55.45 H new ATOM 0 HG21 THR A 677 10.255 16.287 0.445 1.00 24.23 H new ATOM 0 HG22 THR A 677 11.283 15.787 1.809 1.00 24.23 H new ATOM 0 HG23 THR A 677 11.888 15.647 0.141 1.00 24.23 H new ATOM 1413 N PRO A 678 12.968 13.712 3.047 1.00 5.32 N ATOM 1414 CA PRO A 678 13.292 13.992 4.454 1.00 53.11 C ATOM 1415 C PRO A 678 12.438 15.150 4.992 1.00 73.22 C ATOM 1416 O PRO A 678 11.989 16.008 4.224 1.00 21.32 O ATOM 1417 CB PRO A 678 14.775 14.404 4.411 1.00 74.33 C ATOM 1418 CG PRO A 678 15.281 13.871 3.118 1.00 51.20 C ATOM 1419 CD PRO A 678 14.124 13.938 2.167 1.00 71.44 C ATOM 0 HA PRO A 678 13.100 13.139 5.105 1.00 53.11 H new ATOM 0 HB2 PRO A 678 14.886 15.487 4.463 1.00 74.33 H new ATOM 0 HB3 PRO A 678 15.326 13.986 5.254 1.00 74.33 H new ATOM 0 HG2 PRO A 678 16.121 14.462 2.754 1.00 51.20 H new ATOM 0 HG3 PRO A 678 15.636 12.847 3.230 1.00 51.20 H new ATOM 0 HD2 PRO A 678 14.068 14.904 1.665 1.00 71.44 H new ATOM 0 HD3 PRO A 678 14.195 13.178 1.389 1.00 71.44 H new ATOM 1427 N TYR A 679 12.198 15.161 6.288 1.00 11.52 N ATOM 1428 CA TYR A 679 11.392 16.219 6.896 1.00 53.14 C ATOM 1429 C TYR A 679 12.347 17.305 7.358 1.00 50.51 C ATOM 1430 O TYR A 679 12.523 18.333 6.711 1.00 62.50 O ATOM 1431 CB TYR A 679 10.618 15.702 8.136 1.00 24.01 C ATOM 1432 CG TYR A 679 9.957 14.357 7.987 1.00 44.23 C ATOM 1433 CD1 TYR A 679 10.701 13.181 8.081 1.00 52.24 C ATOM 1434 CD2 TYR A 679 8.608 14.251 7.763 1.00 74.14 C ATOM 1435 CE1 TYR A 679 10.109 11.958 7.941 1.00 54.43 C ATOM 1436 CE2 TYR A 679 8.011 13.023 7.629 1.00 42.42 C ATOM 1437 CZ TYR A 679 8.766 11.886 7.715 1.00 11.44 C ATOM 1438 OH TYR A 679 8.170 10.675 7.554 1.00 34.13 O ATOM 0 H TYR A 679 12.543 14.459 6.942 1.00 11.52 H new ATOM 0 HA TYR A 679 10.669 16.582 6.165 1.00 53.14 H new ATOM 0 HB2 TYR A 679 11.309 15.654 8.977 1.00 24.01 H new ATOM 0 HB3 TYR A 679 9.853 16.434 8.394 1.00 24.01 H new ATOM 0 HD1 TYR A 679 11.763 13.238 8.268 1.00 52.24 H new ATOM 0 HD2 TYR A 679 8.008 15.146 7.691 1.00 74.14 H new ATOM 0 HE1 TYR A 679 10.699 11.056 8.009 1.00 54.43 H new ATOM 0 HE2 TYR A 679 6.947 12.954 7.456 1.00 42.42 H new ATOM 0 HH TYR A 679 8.810 9.964 7.769 1.00 34.13 H new ATOM 1448 N ASN A 680 12.983 17.014 8.470 1.00 13.23 N ATOM 1449 CA ASN A 680 13.980 17.802 9.102 1.00 13.53 C ATOM 1450 C ASN A 680 14.565 16.907 10.160 1.00 52.55 C ATOM 1451 O ASN A 680 13.875 16.547 11.117 1.00 34.23 O ATOM 1452 CB ASN A 680 13.382 19.051 9.748 1.00 23.51 C ATOM 1453 CG ASN A 680 14.448 19.948 10.325 1.00 32.30 C ATOM 1454 OD1 ASN A 680 14.822 19.839 11.493 1.00 44.01 O ATOM 1455 ND2 ASN A 680 14.949 20.820 9.509 1.00 30.52 N ATOM 0 H ASN A 680 12.792 16.153 8.983 1.00 13.23 H new ATOM 0 HA ASN A 680 14.722 18.153 8.385 1.00 13.53 H new ATOM 0 HB2 ASN A 680 12.805 19.603 9.006 1.00 23.51 H new ATOM 0 HB3 ASN A 680 12.689 18.756 10.536 1.00 23.51 H new ATOM 0 HD21 ASN A 680 15.684 21.452 9.826 1.00 30.52 H new ATOM 0 HD22 ASN A 680 14.608 20.875 8.549 1.00 30.52 H new ATOM 1461 N ASN A 681 15.782 16.486 9.961 1.00 41.25 N ATOM 1462 CA ASN A 681 16.421 15.536 10.859 1.00 52.13 C ATOM 1463 C ASN A 681 17.918 15.662 10.726 1.00 45.22 C ATOM 1464 O ASN A 681 18.416 15.844 9.620 1.00 11.22 O ATOM 1465 CB ASN A 681 15.972 14.099 10.505 1.00 62.52 C ATOM 1466 CG ASN A 681 16.582 13.033 11.404 1.00 12.53 C ATOM 1467 OD1 ASN A 681 17.643 12.516 11.119 1.00 34.52 O ATOM 1468 ND2 ASN A 681 15.904 12.687 12.452 1.00 64.01 N ATOM 0 H ASN A 681 16.366 16.783 9.179 1.00 41.25 H new ATOM 0 HA ASN A 681 16.131 15.748 11.888 1.00 52.13 H new ATOM 0 HB2 ASN A 681 14.886 14.040 10.571 1.00 62.52 H new ATOM 0 HB3 ASN A 681 16.241 13.887 9.470 1.00 62.52 H new ATOM 0 HD21 ASN A 681 16.258 11.957 13.070 1.00 64.01 H new ATOM 0 HD22 ASN A 681 15.016 13.144 12.659 1.00 64.01 H new ATOM 1474 N GLU A 682 18.629 15.555 11.834 1.00 24.02 N ATOM 1475 CA GLU A 682 20.078 15.727 11.844 1.00 13.32 C ATOM 1476 C GLU A 682 20.792 14.598 11.117 1.00 63.35 C ATOM 1477 O GLU A 682 21.758 14.827 10.414 1.00 65.32 O ATOM 1478 CB GLU A 682 20.603 15.852 13.263 1.00 12.11 C ATOM 1479 CG GLU A 682 19.998 16.999 14.038 1.00 2.02 C ATOM 1480 CD GLU A 682 20.590 17.133 15.408 1.00 44.03 C ATOM 1481 OE1 GLU A 682 20.235 16.342 16.299 1.00 24.04 O ATOM 1482 OE2 GLU A 682 21.434 18.034 15.616 1.00 51.11 O ATOM 0 H GLU A 682 18.226 15.348 12.748 1.00 24.02 H new ATOM 0 HA GLU A 682 20.289 16.653 11.309 1.00 13.32 H new ATOM 0 HB2 GLU A 682 20.407 14.922 13.796 1.00 12.11 H new ATOM 0 HB3 GLU A 682 21.685 15.979 13.230 1.00 12.11 H new ATOM 0 HG2 GLU A 682 20.149 17.927 13.487 1.00 2.02 H new ATOM 0 HG3 GLU A 682 18.922 16.850 14.122 1.00 2.02 H new ATOM 1489 N LYS A 683 20.303 13.383 11.272 1.00 41.30 N ATOM 1490 CA LYS A 683 20.908 12.230 10.600 1.00 25.30 C ATOM 1491 C LYS A 683 20.451 12.214 9.151 1.00 13.12 C ATOM 1492 O LYS A 683 21.060 11.563 8.300 1.00 51.35 O ATOM 1493 CB LYS A 683 20.455 10.912 11.255 1.00 2.40 C ATOM 1494 CG LYS A 683 20.680 10.741 12.775 1.00 62.14 C ATOM 1495 CD LYS A 683 22.154 10.731 13.219 1.00 1.25 C ATOM 1496 CE LYS A 683 22.799 12.112 13.246 1.00 73.43 C ATOM 1497 NZ LYS A 683 24.177 12.062 13.776 1.00 0.22 N ATOM 0 H LYS A 683 19.494 13.161 11.852 1.00 41.30 H new ATOM 0 HA LYS A 683 21.992 12.316 10.675 1.00 25.30 H new ATOM 0 HB2 LYS A 683 19.389 10.791 11.060 1.00 2.40 H new ATOM 0 HB3 LYS A 683 20.967 10.094 10.748 1.00 2.40 H new ATOM 0 HG2 LYS A 683 20.165 11.548 13.296 1.00 62.14 H new ATOM 0 HG3 LYS A 683 20.214 9.808 13.093 1.00 62.14 H new ATOM 0 HD2 LYS A 683 22.221 10.290 14.213 1.00 1.25 H new ATOM 0 HD3 LYS A 683 22.722 10.088 12.546 1.00 1.25 H new ATOM 0 HE2 LYS A 683 22.812 12.527 12.238 1.00 73.43 H new ATOM 0 HE3 LYS A 683 22.197 12.783 13.860 1.00 73.43 H new ATOM 0 HZ1 LYS A 683 24.583 13.020 13.779 1.00 0.22 H new ATOM 0 HZ2 LYS A 683 24.162 11.689 14.747 1.00 0.22 H new ATOM 0 HZ3 LYS A 683 24.757 11.442 13.176 1.00 0.22 H new ATOM 1511 N ARG A 684 19.382 12.953 8.902 1.00 42.12 N ATOM 1512 CA ARG A 684 18.704 13.016 7.629 1.00 25.51 C ATOM 1513 C ARG A 684 18.126 11.685 7.246 1.00 13.31 C ATOM 1514 O ARG A 684 18.783 10.840 6.635 1.00 14.10 O ATOM 1515 CB ARG A 684 19.528 13.628 6.508 1.00 54.42 C ATOM 1516 CG ARG A 684 19.842 15.088 6.714 1.00 54.23 C ATOM 1517 CD ARG A 684 20.504 15.651 5.495 1.00 24.24 C ATOM 1518 NE ARG A 684 20.726 17.097 5.597 1.00 44.12 N ATOM 1519 CZ ARG A 684 20.659 17.942 4.557 1.00 54.05 C ATOM 1520 NH1 ARG A 684 20.346 17.482 3.343 1.00 65.42 N ATOM 1521 NH2 ARG A 684 20.890 19.242 4.733 1.00 62.04 N ATOM 0 H ARG A 684 18.951 13.546 9.612 1.00 42.12 H new ATOM 0 HA ARG A 684 17.878 13.712 7.775 1.00 25.51 H new ATOM 0 HB2 ARG A 684 20.462 13.075 6.412 1.00 54.42 H new ATOM 0 HB3 ARG A 684 18.990 13.510 5.568 1.00 54.42 H new ATOM 0 HG2 ARG A 684 18.925 15.638 6.926 1.00 54.23 H new ATOM 0 HG3 ARG A 684 20.494 15.209 7.579 1.00 54.23 H new ATOM 0 HD2 ARG A 684 21.459 15.150 5.339 1.00 24.24 H new ATOM 0 HD3 ARG A 684 19.888 15.442 4.621 1.00 24.24 H new ATOM 0 HE ARG A 684 20.945 17.484 6.515 1.00 44.12 H new ATOM 0 HH11 ARG A 684 20.158 16.489 3.207 1.00 65.42 H new ATOM 0 HH12 ARG A 684 20.295 18.124 2.552 1.00 65.42 H new ATOM 0 HH21 ARG A 684 21.119 19.598 5.661 1.00 62.04 H new ATOM 0 HH22 ARG A 684 20.838 19.881 3.940 1.00 62.04 H new ATOM 1533 N THR A 685 16.918 11.489 7.641 1.00 14.14 N ATOM 1534 CA THR A 685 16.242 10.278 7.373 1.00 5.21 C ATOM 1535 C THR A 685 15.091 10.559 6.397 1.00 53.44 C ATOM 1536 O THR A 685 14.362 11.562 6.554 1.00 71.32 O ATOM 1537 CB THR A 685 15.732 9.599 8.700 1.00 4.23 C ATOM 1538 OG1 THR A 685 15.160 8.314 8.426 1.00 61.05 O ATOM 1539 CG2 THR A 685 14.707 10.466 9.433 1.00 63.12 C ATOM 0 H THR A 685 16.370 12.173 8.163 1.00 14.14 H new ATOM 0 HA THR A 685 16.932 9.571 6.913 1.00 5.21 H new ATOM 0 HB THR A 685 16.602 9.481 9.347 1.00 4.23 H new ATOM 0 HG1 THR A 685 14.851 7.908 9.263 1.00 61.05 H new ATOM 0 HG21 THR A 685 14.384 9.958 10.341 1.00 63.12 H new ATOM 0 HG22 THR A 685 15.160 11.423 9.694 1.00 63.12 H new ATOM 0 HG23 THR A 685 13.846 10.636 8.787 1.00 63.12 H new ATOM 1545 N PRO A 686 14.950 9.744 5.343 1.00 55.25 N ATOM 1546 CA PRO A 686 13.866 9.897 4.390 1.00 0.12 C ATOM 1547 C PRO A 686 12.533 9.495 5.002 1.00 21.35 C ATOM 1548 O PRO A 686 12.486 8.664 5.928 1.00 51.42 O ATOM 1549 CB PRO A 686 14.230 8.928 3.252 1.00 4.03 C ATOM 1550 CG PRO A 686 15.641 8.521 3.505 1.00 42.05 C ATOM 1551 CD PRO A 686 15.838 8.626 4.982 1.00 22.10 C ATOM 0 HA PRO A 686 13.755 10.930 4.060 1.00 0.12 H new ATOM 0 HB2 PRO A 686 13.568 8.062 3.248 1.00 4.03 H new ATOM 0 HB3 PRO A 686 14.130 9.411 2.280 1.00 4.03 H new ATOM 0 HG2 PRO A 686 15.822 7.504 3.158 1.00 42.05 H new ATOM 0 HG3 PRO A 686 16.336 9.169 2.971 1.00 42.05 H new ATOM 0 HD2 PRO A 686 15.560 7.705 5.495 1.00 22.10 H new ATOM 0 HD3 PRO A 686 16.877 8.833 5.239 1.00 22.10 H new ATOM 1559 N ARG A 687 11.465 10.100 4.518 1.00 52.31 N ATOM 1560 CA ARG A 687 10.136 9.760 4.944 1.00 35.44 C ATOM 1561 C ARG A 687 9.836 8.312 4.574 1.00 22.52 C ATOM 1562 O ARG A 687 10.282 7.832 3.527 1.00 34.23 O ATOM 1563 CB ARG A 687 9.133 10.730 4.305 1.00 73.31 C ATOM 1564 CG ARG A 687 7.691 10.442 4.611 1.00 22.35 C ATOM 1565 CD ARG A 687 6.763 11.527 4.082 1.00 12.23 C ATOM 1566 NE ARG A 687 6.859 12.813 4.796 1.00 23.43 N ATOM 1567 CZ ARG A 687 7.455 13.921 4.345 1.00 1.41 C ATOM 1568 NH1 ARG A 687 8.233 13.875 3.275 1.00 73.51 N ATOM 1569 NH2 ARG A 687 7.290 15.070 4.988 1.00 71.04 N ATOM 0 H ARG A 687 11.503 10.841 3.818 1.00 52.31 H new ATOM 0 HA ARG A 687 10.051 9.852 6.027 1.00 35.44 H new ATOM 0 HB2 ARG A 687 9.365 11.741 4.639 1.00 73.31 H new ATOM 0 HB3 ARG A 687 9.270 10.712 3.224 1.00 73.31 H new ATOM 0 HG2 ARG A 687 7.413 9.483 4.173 1.00 22.35 H new ATOM 0 HG3 ARG A 687 7.562 10.350 5.689 1.00 22.35 H new ATOM 0 HD2 ARG A 687 6.983 11.694 3.028 1.00 12.23 H new ATOM 0 HD3 ARG A 687 5.735 11.169 4.140 1.00 12.23 H new ATOM 0 HE ARG A 687 6.431 12.862 5.720 1.00 23.43 H new ATOM 0 HH11 ARG A 687 8.381 12.990 2.789 1.00 73.51 H new ATOM 0 HH12 ARG A 687 8.685 14.724 2.936 1.00 73.51 H new ATOM 0 HH21 ARG A 687 6.709 15.107 5.825 1.00 71.04 H new ATOM 0 HH22 ARG A 687 7.744 15.916 4.645 1.00 71.04 H new ATOM 1581 N ALA A 688 9.127 7.626 5.435 1.00 44.21 N ATOM 1582 CA ALA A 688 8.814 6.240 5.228 1.00 33.34 C ATOM 1583 C ALA A 688 7.354 5.970 5.529 1.00 24.11 C ATOM 1584 O ALA A 688 6.765 6.575 6.439 1.00 2.13 O ATOM 1585 CB ALA A 688 9.707 5.360 6.096 1.00 61.14 C ATOM 0 H ALA A 688 8.751 8.016 6.299 1.00 44.21 H new ATOM 0 HA ALA A 688 8.998 5.999 4.181 1.00 33.34 H new ATOM 0 HB1 ALA A 688 9.458 4.312 5.929 1.00 61.14 H new ATOM 0 HB2 ALA A 688 10.751 5.531 5.835 1.00 61.14 H new ATOM 0 HB3 ALA A 688 9.551 5.607 7.146 1.00 61.14 H new ATOM 1591 N THR A 689 6.775 5.099 4.763 1.00 31.44 N ATOM 1592 CA THR A 689 5.396 4.708 4.932 1.00 71.51 C ATOM 1593 C THR A 689 5.313 3.219 5.164 1.00 61.21 C ATOM 1594 O THR A 689 5.930 2.444 4.437 1.00 54.42 O ATOM 1595 CB THR A 689 4.605 5.047 3.670 1.00 22.54 C ATOM 1596 OG1 THR A 689 4.765 6.409 3.410 1.00 34.21 O ATOM 1597 CG2 THR A 689 3.130 4.743 3.831 1.00 34.54 C ATOM 0 H THR A 689 7.247 4.629 3.990 1.00 31.44 H new ATOM 0 HA THR A 689 4.982 5.243 5.787 1.00 71.51 H new ATOM 0 HB THR A 689 4.981 4.438 2.848 1.00 22.54 H new ATOM 0 HG1 THR A 689 4.577 6.922 4.224 1.00 34.21 H new ATOM 0 HG21 THR A 689 2.603 4.998 2.911 1.00 34.54 H new ATOM 0 HG22 THR A 689 2.998 3.682 4.042 1.00 34.54 H new ATOM 0 HG23 THR A 689 2.725 5.330 4.656 1.00 34.54 H new ATOM 1603 N LEU A 690 4.583 2.826 6.164 1.00 63.13 N ATOM 1604 CA LEU A 690 4.384 1.469 6.436 1.00 11.41 C ATOM 1605 C LEU A 690 2.893 1.191 6.528 1.00 71.24 C ATOM 1606 O LEU A 690 2.198 1.712 7.403 1.00 2.32 O ATOM 1607 CB LEU A 690 5.048 1.093 7.742 1.00 15.44 C ATOM 1608 CG LEU A 690 4.889 -0.353 8.151 1.00 62.03 C ATOM 1609 CD1 LEU A 690 5.529 -1.254 7.137 1.00 2.11 C ATOM 1610 CD2 LEU A 690 5.472 -0.582 9.501 1.00 32.54 C ATOM 0 H LEU A 690 4.112 3.460 6.810 1.00 63.13 H new ATOM 0 HA LEU A 690 4.824 0.876 5.634 1.00 11.41 H new ATOM 0 HB2 LEU A 690 6.112 1.318 7.668 1.00 15.44 H new ATOM 0 HB3 LEU A 690 4.642 1.724 8.533 1.00 15.44 H new ATOM 0 HG LEU A 690 3.825 -0.586 8.197 1.00 62.03 H new ATOM 0 HD11 LEU A 690 5.407 -2.293 7.445 1.00 2.11 H new ATOM 0 HD12 LEU A 690 5.055 -1.105 6.167 1.00 2.11 H new ATOM 0 HD13 LEU A 690 6.591 -1.020 7.062 1.00 2.11 H new ATOM 0 HD21 LEU A 690 5.348 -1.629 9.778 1.00 32.54 H new ATOM 0 HD22 LEU A 690 6.533 -0.334 9.486 1.00 32.54 H new ATOM 0 HD23 LEU A 690 4.962 0.049 10.229 1.00 32.54 H new ATOM 1618 N ILE A 691 2.408 0.396 5.644 1.00 50.13 N ATOM 1619 CA ILE A 691 1.025 0.023 5.668 1.00 34.33 C ATOM 1620 C ILE A 691 0.937 -1.320 6.346 1.00 11.31 C ATOM 1621 O ILE A 691 1.752 -2.178 6.086 1.00 63.45 O ATOM 1622 CB ILE A 691 0.373 -0.110 4.254 1.00 24.24 C ATOM 1623 CG1 ILE A 691 0.489 1.162 3.394 1.00 11.14 C ATOM 1624 CG2 ILE A 691 -1.074 -0.489 4.387 1.00 23.41 C ATOM 1625 CD1 ILE A 691 1.862 1.434 2.842 1.00 2.05 C ATOM 0 H ILE A 691 2.948 -0.017 4.884 1.00 50.13 H new ATOM 0 HA ILE A 691 0.484 0.813 6.189 1.00 34.33 H new ATOM 0 HB ILE A 691 0.932 -0.891 3.738 1.00 24.24 H new ATOM 0 HG12 ILE A 691 -0.212 1.085 2.563 1.00 11.14 H new ATOM 0 HG13 ILE A 691 0.179 2.018 3.994 1.00 11.14 H new ATOM 0 HG21 ILE A 691 -1.519 -0.579 3.396 1.00 23.41 H new ATOM 0 HG22 ILE A 691 -1.154 -1.443 4.909 1.00 23.41 H new ATOM 0 HG23 ILE A 691 -1.601 0.279 4.953 1.00 23.41 H new ATOM 0 HD11 ILE A 691 1.842 2.350 2.251 1.00 2.05 H new ATOM 0 HD12 ILE A 691 2.569 1.548 3.664 1.00 2.05 H new ATOM 0 HD13 ILE A 691 2.172 0.601 2.210 1.00 2.05 H new ATOM 1632 N THR A 692 0.005 -1.489 7.224 1.00 3.33 N ATOM 1633 CA THR A 692 -0.171 -2.742 7.885 1.00 53.42 C ATOM 1634 C THR A 692 -1.462 -3.392 7.375 1.00 32.23 C ATOM 1635 O THR A 692 -2.541 -2.799 7.465 1.00 72.44 O ATOM 1636 CB THR A 692 -0.222 -2.518 9.401 1.00 21.34 C ATOM 1637 OG1 THR A 692 0.926 -1.721 9.761 1.00 43.42 O ATOM 1638 CG2 THR A 692 -0.160 -3.844 10.157 1.00 44.40 C ATOM 0 H THR A 692 -0.656 -0.764 7.504 1.00 3.33 H new ATOM 0 HA THR A 692 0.665 -3.408 7.671 1.00 53.42 H new ATOM 0 HB THR A 692 -1.156 -2.022 9.664 1.00 21.34 H new ATOM 0 HG1 THR A 692 1.223 -1.964 10.663 1.00 43.42 H new ATOM 0 HG21 THR A 692 -0.198 -3.653 11.230 1.00 44.40 H new ATOM 0 HG22 THR A 692 -1.007 -4.467 9.869 1.00 44.40 H new ATOM 0 HG23 THR A 692 0.769 -4.359 9.913 1.00 44.40 H new ATOM 1644 N PHE A 693 -1.328 -4.572 6.814 1.00 10.21 N ATOM 1645 CA PHE A 693 -2.434 -5.309 6.232 1.00 51.11 C ATOM 1646 C PHE A 693 -3.015 -6.253 7.259 1.00 40.00 C ATOM 1647 O PHE A 693 -2.342 -7.180 7.719 1.00 42.35 O ATOM 1648 CB PHE A 693 -1.953 -6.143 5.011 1.00 35.13 C ATOM 1649 CG PHE A 693 -1.472 -5.364 3.797 1.00 53.02 C ATOM 1650 CD1 PHE A 693 -0.605 -4.289 3.917 1.00 30.20 C ATOM 1651 CD2 PHE A 693 -1.910 -5.711 2.534 1.00 62.25 C ATOM 1652 CE1 PHE A 693 -0.186 -3.589 2.807 1.00 54.03 C ATOM 1653 CE2 PHE A 693 -1.494 -5.006 1.417 1.00 42.25 C ATOM 1654 CZ PHE A 693 -0.632 -3.946 1.557 1.00 14.04 C ATOM 0 H PHE A 693 -0.434 -5.058 6.747 1.00 10.21 H new ATOM 0 HA PHE A 693 -3.188 -4.592 5.908 1.00 51.11 H new ATOM 0 HB2 PHE A 693 -1.142 -6.793 5.341 1.00 35.13 H new ATOM 0 HB3 PHE A 693 -2.772 -6.790 4.697 1.00 35.13 H new ATOM 0 HD1 PHE A 693 -0.253 -3.996 4.895 1.00 30.20 H new ATOM 0 HD2 PHE A 693 -2.587 -6.544 2.416 1.00 62.25 H new ATOM 0 HE1 PHE A 693 0.494 -2.758 2.919 1.00 54.03 H new ATOM 0 HE2 PHE A 693 -1.847 -5.290 0.437 1.00 42.25 H new ATOM 0 HZ PHE A 693 -0.306 -3.395 0.688 1.00 14.04 H new ATOM 1664 N LEU A 694 -4.233 -6.012 7.624 1.00 3.12 N ATOM 1665 CA LEU A 694 -4.931 -6.859 8.542 1.00 53.10 C ATOM 1666 C LEU A 694 -6.036 -7.547 7.792 1.00 5.43 C ATOM 1667 O LEU A 694 -6.508 -7.039 6.772 1.00 61.43 O ATOM 1668 CB LEU A 694 -5.530 -6.071 9.733 1.00 63.34 C ATOM 1669 CG LEU A 694 -4.566 -5.315 10.668 1.00 73.32 C ATOM 1670 CD1 LEU A 694 -3.476 -6.223 11.203 1.00 13.54 C ATOM 1671 CD2 LEU A 694 -3.990 -4.070 10.019 1.00 62.42 C ATOM 0 H LEU A 694 -4.777 -5.216 7.292 1.00 3.12 H new ATOM 0 HA LEU A 694 -4.223 -7.576 8.957 1.00 53.10 H new ATOM 0 HB2 LEU A 694 -6.238 -5.347 9.330 1.00 63.34 H new ATOM 0 HB3 LEU A 694 -6.102 -6.772 10.341 1.00 63.34 H new ATOM 0 HG LEU A 694 -5.157 -4.979 11.520 1.00 73.32 H new ATOM 0 HD11 LEU A 694 -2.817 -5.653 11.858 1.00 13.54 H new ATOM 0 HD12 LEU A 694 -3.927 -7.041 11.765 1.00 13.54 H new ATOM 0 HD13 LEU A 694 -2.899 -6.628 10.372 1.00 13.54 H new ATOM 0 HD21 LEU A 694 -3.317 -3.573 10.718 1.00 62.42 H new ATOM 0 HD22 LEU A 694 -3.438 -4.350 9.121 1.00 62.42 H new ATOM 0 HD23 LEU A 694 -4.800 -3.392 9.751 1.00 62.42 H new ATOM 1679 N CYS A 695 -6.453 -8.674 8.272 1.00 41.43 N ATOM 1680 CA CYS A 695 -7.515 -9.412 7.636 1.00 44.02 C ATOM 1681 C CYS A 695 -8.760 -9.254 8.469 1.00 24.14 C ATOM 1682 O CYS A 695 -9.775 -9.928 8.273 1.00 24.32 O ATOM 1683 CB CYS A 695 -7.131 -10.884 7.522 1.00 11.02 C ATOM 1684 SG CYS A 695 -8.296 -11.908 6.581 1.00 53.24 S ATOM 0 H CYS A 695 -6.075 -9.114 9.111 1.00 41.43 H new ATOM 0 HA CYS A 695 -7.692 -9.031 6.630 1.00 44.02 H new ATOM 0 HB2 CYS A 695 -6.149 -10.953 7.054 1.00 11.02 H new ATOM 0 HB3 CYS A 695 -7.035 -11.298 8.526 1.00 11.02 H new ATOM 1689 N ASP A 696 -8.685 -8.333 9.378 1.00 23.42 N ATOM 1690 CA ASP A 696 -9.771 -8.055 10.272 1.00 63.31 C ATOM 1691 C ASP A 696 -10.656 -7.063 9.607 1.00 73.31 C ATOM 1692 O ASP A 696 -10.205 -5.988 9.279 1.00 3.02 O ATOM 1693 CB ASP A 696 -9.258 -7.519 11.605 1.00 71.24 C ATOM 1694 CG ASP A 696 -10.370 -7.225 12.581 1.00 63.31 C ATOM 1695 OD1 ASP A 696 -10.917 -8.168 13.157 1.00 14.53 O ATOM 1696 OD2 ASP A 696 -10.685 -6.041 12.809 1.00 52.21 O ATOM 0 H ASP A 696 -7.863 -7.747 9.524 1.00 23.42 H new ATOM 0 HA ASP A 696 -10.323 -8.969 10.490 1.00 63.31 H new ATOM 0 HB2 ASP A 696 -8.576 -8.246 12.046 1.00 71.24 H new ATOM 0 HB3 ASP A 696 -8.684 -6.609 11.429 1.00 71.24 H new ATOM 1745 N GLY A 700 -12.763 -6.272 1.062 1.00 71.23 N ATOM 1746 CA GLY A 700 -12.502 -6.804 -0.243 1.00 72.05 C ATOM 1747 C GLY A 700 -11.021 -6.881 -0.485 1.00 72.22 C ATOM 1748 O GLY A 700 -10.302 -7.619 0.221 1.00 2.22 O ATOM 0 HA2 GLY A 700 -12.945 -7.796 -0.335 1.00 72.05 H new ATOM 0 HA3 GLY A 700 -12.969 -6.175 -1.000 1.00 72.05 H new ATOM 1752 N VAL A 701 -10.549 -6.090 -1.426 1.00 54.22 N ATOM 1753 CA VAL A 701 -9.138 -6.036 -1.772 1.00 22.04 C ATOM 1754 C VAL A 701 -8.395 -5.274 -0.677 1.00 2.22 C ATOM 1755 O VAL A 701 -7.200 -5.489 -0.429 1.00 50.10 O ATOM 1756 CB VAL A 701 -8.918 -5.343 -3.149 1.00 25.10 C ATOM 1757 CG1 VAL A 701 -7.459 -5.380 -3.555 1.00 3.42 C ATOM 1758 CG2 VAL A 701 -9.783 -5.986 -4.223 1.00 71.21 C ATOM 0 H VAL A 701 -11.134 -5.462 -1.977 1.00 54.22 H new ATOM 0 HA VAL A 701 -8.754 -7.053 -1.851 1.00 22.04 H new ATOM 0 HB VAL A 701 -9.214 -4.299 -3.044 1.00 25.10 H new ATOM 0 HG11 VAL A 701 -7.337 -4.889 -4.520 1.00 3.42 H new ATOM 0 HG12 VAL A 701 -6.860 -4.862 -2.806 1.00 3.42 H new ATOM 0 HG13 VAL A 701 -7.129 -6.416 -3.631 1.00 3.42 H new ATOM 0 HG21 VAL A 701 -9.612 -5.485 -5.176 1.00 71.21 H new ATOM 0 HG22 VAL A 701 -9.524 -7.041 -4.316 1.00 71.21 H new ATOM 0 HG23 VAL A 701 -10.834 -5.893 -3.948 1.00 71.21 H new ATOM 1764 N GLY A 702 -9.116 -4.418 -0.007 1.00 4.50 N ATOM 1765 CA GLY A 702 -8.569 -3.699 1.080 1.00 14.54 C ATOM 1766 C GLY A 702 -8.533 -2.231 0.846 1.00 61.23 C ATOM 1767 O GLY A 702 -8.208 -1.767 -0.246 1.00 53.10 O ATOM 0 H GLY A 702 -10.094 -4.209 -0.208 1.00 4.50 H new ATOM 0 HA2 GLY A 702 -9.155 -3.904 1.976 1.00 14.54 H new ATOM 0 HA3 GLY A 702 -7.557 -4.056 1.272 1.00 14.54 H new ATOM 1771 N PHE A 703 -8.904 -1.492 1.840 1.00 3.20 N ATOM 1772 CA PHE A 703 -8.829 -0.070 1.764 1.00 11.02 C ATOM 1773 C PHE A 703 -7.871 0.416 2.839 1.00 72.21 C ATOM 1774 O PHE A 703 -8.061 0.100 4.024 1.00 51.41 O ATOM 1775 CB PHE A 703 -10.214 0.580 1.929 1.00 74.40 C ATOM 1776 CG PHE A 703 -10.202 2.066 1.675 1.00 61.15 C ATOM 1777 CD1 PHE A 703 -10.340 2.551 0.389 1.00 52.01 C ATOM 1778 CD2 PHE A 703 -10.036 2.970 2.710 1.00 55.43 C ATOM 1779 CE1 PHE A 703 -10.309 3.902 0.138 1.00 51.23 C ATOM 1780 CE2 PHE A 703 -10.008 4.328 2.459 1.00 72.14 C ATOM 1781 CZ PHE A 703 -10.143 4.792 1.166 1.00 50.52 C ATOM 0 H PHE A 703 -9.265 -1.854 2.722 1.00 3.20 H new ATOM 0 HA PHE A 703 -8.463 0.219 0.779 1.00 11.02 H new ATOM 0 HB2 PHE A 703 -10.916 0.106 1.243 1.00 74.40 H new ATOM 0 HB3 PHE A 703 -10.579 0.393 2.939 1.00 74.40 H new ATOM 0 HD1 PHE A 703 -10.474 1.860 -0.430 1.00 52.01 H new ATOM 0 HD2 PHE A 703 -9.927 2.610 3.723 1.00 55.43 H new ATOM 0 HE1 PHE A 703 -10.416 4.263 -0.874 1.00 51.23 H new ATOM 0 HE2 PHE A 703 -9.881 5.026 3.273 1.00 72.14 H new ATOM 0 HZ PHE A 703 -10.118 5.853 0.966 1.00 50.52 H new ATOM 1791 N PRO A 704 -6.811 1.138 2.454 1.00 13.34 N ATOM 1792 CA PRO A 704 -5.864 1.685 3.413 1.00 73.32 C ATOM 1793 C PRO A 704 -6.420 2.922 4.112 1.00 21.32 C ATOM 1794 O PRO A 704 -7.031 3.778 3.486 1.00 24.33 O ATOM 1795 CB PRO A 704 -4.659 2.066 2.552 1.00 54.42 C ATOM 1796 CG PRO A 704 -5.214 2.309 1.185 1.00 11.12 C ATOM 1797 CD PRO A 704 -6.453 1.462 1.057 1.00 52.01 C ATOM 0 HA PRO A 704 -5.628 0.975 4.206 1.00 73.32 H new ATOM 0 HB2 PRO A 704 -4.164 2.956 2.940 1.00 54.42 H new ATOM 0 HB3 PRO A 704 -3.916 1.268 2.539 1.00 54.42 H new ATOM 0 HG2 PRO A 704 -5.452 3.364 1.047 1.00 11.12 H new ATOM 0 HG3 PRO A 704 -4.485 2.044 0.420 1.00 11.12 H new ATOM 0 HD2 PRO A 704 -7.255 2.002 0.554 1.00 52.01 H new ATOM 0 HD3 PRO A 704 -6.262 0.561 0.475 1.00 52.01 H new ATOM 1805 N GLU A 705 -6.214 3.001 5.391 1.00 74.13 N ATOM 1806 CA GLU A 705 -6.662 4.122 6.170 1.00 35.11 C ATOM 1807 C GLU A 705 -5.529 4.727 6.970 1.00 4.21 C ATOM 1808 O GLU A 705 -4.655 4.019 7.459 1.00 62.15 O ATOM 1809 CB GLU A 705 -7.805 3.714 7.089 1.00 43.20 C ATOM 1810 CG GLU A 705 -9.094 3.373 6.354 1.00 22.15 C ATOM 1811 CD GLU A 705 -10.259 3.156 7.284 1.00 10.53 C ATOM 1812 OE1 GLU A 705 -10.867 4.163 7.726 1.00 74.41 O ATOM 1813 OE2 GLU A 705 -10.606 1.998 7.568 1.00 22.34 O ATOM 0 H GLU A 705 -5.727 2.286 5.931 1.00 74.13 H new ATOM 0 HA GLU A 705 -7.025 4.882 5.478 1.00 35.11 H new ATOM 0 HB2 GLU A 705 -7.495 2.851 7.678 1.00 43.20 H new ATOM 0 HB3 GLU A 705 -8.002 4.525 7.791 1.00 43.20 H new ATOM 0 HG2 GLU A 705 -9.335 4.178 5.660 1.00 22.15 H new ATOM 0 HG3 GLU A 705 -8.939 2.474 5.758 1.00 22.15 H new ATOM 1820 N TYR A 706 -5.546 6.026 7.093 1.00 3.33 N ATOM 1821 CA TYR A 706 -4.541 6.753 7.839 1.00 41.00 C ATOM 1822 C TYR A 706 -4.795 6.589 9.321 1.00 42.41 C ATOM 1823 O TYR A 706 -5.898 6.869 9.793 1.00 1.52 O ATOM 1824 CB TYR A 706 -4.600 8.228 7.447 1.00 42.51 C ATOM 1825 CG TYR A 706 -3.656 9.108 8.211 1.00 31.02 C ATOM 1826 CD1 TYR A 706 -2.301 9.101 7.939 1.00 22.35 C ATOM 1827 CD2 TYR A 706 -4.123 9.957 9.197 1.00 31.02 C ATOM 1828 CE1 TYR A 706 -1.438 9.914 8.628 1.00 64.34 C ATOM 1829 CE2 TYR A 706 -3.269 10.769 9.892 1.00 4.42 C ATOM 1830 CZ TYR A 706 -1.932 10.751 9.607 1.00 51.41 C ATOM 1831 OH TYR A 706 -1.082 11.571 10.304 1.00 43.53 O ATOM 0 H TYR A 706 -6.262 6.620 6.676 1.00 3.33 H new ATOM 0 HA TYR A 706 -3.549 6.362 7.610 1.00 41.00 H new ATOM 0 HB2 TYR A 706 -4.381 8.318 6.383 1.00 42.51 H new ATOM 0 HB3 TYR A 706 -5.617 8.591 7.595 1.00 42.51 H new ATOM 0 HD1 TYR A 706 -1.916 8.445 7.172 1.00 22.35 H new ATOM 0 HD2 TYR A 706 -5.179 9.980 9.422 1.00 31.02 H new ATOM 0 HE1 TYR A 706 -0.381 9.899 8.406 1.00 64.34 H new ATOM 0 HE2 TYR A 706 -3.650 11.422 10.663 1.00 4.42 H new ATOM 0 HH TYR A 706 -0.322 11.814 9.735 1.00 43.53 H new ATOM 1841 N GLN A 707 -3.797 6.121 10.061 1.00 62.44 N ATOM 1842 CA GLN A 707 -3.994 5.947 11.482 1.00 42.24 C ATOM 1843 C GLN A 707 -3.759 7.223 12.258 1.00 75.31 C ATOM 1844 O GLN A 707 -4.708 7.880 12.680 1.00 4.04 O ATOM 1845 CB GLN A 707 -3.183 4.789 12.087 1.00 53.41 C ATOM 1846 CG GLN A 707 -3.487 3.440 11.492 1.00 4.32 C ATOM 1847 CD GLN A 707 -3.276 2.321 12.494 1.00 72.41 C ATOM 1848 OE1 GLN A 707 -4.197 1.948 13.218 1.00 23.01 O ATOM 1849 NE2 GLN A 707 -2.112 1.782 12.549 1.00 43.32 N ATOM 0 H GLN A 707 -2.874 5.864 9.710 1.00 62.44 H new ATOM 0 HA GLN A 707 -5.045 5.676 11.580 1.00 42.24 H new ATOM 0 HB2 GLN A 707 -2.121 4.999 11.958 1.00 53.41 H new ATOM 0 HB3 GLN A 707 -3.372 4.750 13.160 1.00 53.41 H new ATOM 0 HG2 GLN A 707 -4.518 3.422 11.140 1.00 4.32 H new ATOM 0 HG3 GLN A 707 -2.850 3.274 10.623 1.00 4.32 H new ATOM 0 HE21 GLN A 707 -1.367 2.113 11.936 1.00 43.32 H new ATOM 0 HE22 GLN A 707 -1.932 1.023 13.206 1.00 43.32 H new ATOM 1912 N SER A 712 7.415 10.171 11.259 1.00 61.10 N ATOM 1913 CA SER A 712 8.522 9.680 10.468 1.00 12.43 C ATOM 1914 C SER A 712 8.145 8.428 9.694 1.00 34.53 C ATOM 1915 O SER A 712 8.590 8.221 8.564 1.00 43.31 O ATOM 1916 CB SER A 712 9.744 9.439 11.334 1.00 11.30 C ATOM 1917 OG SER A 712 9.448 8.529 12.380 1.00 40.54 O ATOM 0 HA SER A 712 8.771 10.451 9.739 1.00 12.43 H new ATOM 0 HB2 SER A 712 10.557 9.046 10.723 1.00 11.30 H new ATOM 0 HB3 SER A 712 10.089 10.383 11.754 1.00 11.30 H new ATOM 0 HG SER A 712 8.487 8.553 12.572 1.00 40.54 H new ATOM 1923 N THR A 713 7.361 7.595 10.299 1.00 74.11 N ATOM 1924 CA THR A 713 6.870 6.426 9.653 1.00 52.43 C ATOM 1925 C THR A 713 5.352 6.430 9.721 1.00 72.32 C ATOM 1926 O THR A 713 4.755 6.235 10.795 1.00 74.33 O ATOM 1927 CB THR A 713 7.473 5.158 10.276 1.00 2.34 C ATOM 1928 OG1 THR A 713 8.907 5.275 10.212 1.00 55.01 O ATOM 1929 CG2 THR A 713 7.041 3.912 9.509 1.00 34.24 C ATOM 0 H THR A 713 7.043 7.709 11.261 1.00 74.11 H new ATOM 0 HA THR A 713 7.173 6.428 8.606 1.00 52.43 H new ATOM 0 HB THR A 713 7.127 5.061 11.305 1.00 2.34 H new ATOM 0 HG1 THR A 713 9.318 4.477 10.606 1.00 55.01 H new ATOM 0 HG21 THR A 713 7.482 3.029 9.971 1.00 34.24 H new ATOM 0 HG22 THR A 713 5.954 3.829 9.532 1.00 34.24 H new ATOM 0 HG23 THR A 713 7.377 3.986 8.475 1.00 34.24 H new ATOM 1935 N TYR A 714 4.753 6.708 8.597 1.00 22.52 N ATOM 1936 CA TYR A 714 3.316 6.823 8.478 1.00 40.03 C ATOM 1937 C TYR A 714 2.723 5.437 8.480 1.00 22.45 C ATOM 1938 O TYR A 714 3.078 4.617 7.635 1.00 64.25 O ATOM 1939 CB TYR A 714 2.942 7.566 7.167 1.00 10.31 C ATOM 1940 CG TYR A 714 3.419 9.024 7.078 1.00 4.40 C ATOM 1941 CD1 TYR A 714 4.742 9.366 7.316 1.00 4.10 C ATOM 1942 CD2 TYR A 714 2.540 10.049 6.732 1.00 4.51 C ATOM 1943 CE1 TYR A 714 5.176 10.660 7.225 1.00 64.24 C ATOM 1944 CE2 TYR A 714 2.975 11.358 6.638 1.00 74.50 C ATOM 1945 CZ TYR A 714 4.296 11.655 6.887 1.00 20.33 C ATOM 1946 OH TYR A 714 4.745 12.959 6.788 1.00 72.41 O ATOM 0 H TYR A 714 5.252 6.864 7.721 1.00 22.52 H new ATOM 0 HA TYR A 714 2.920 7.396 9.316 1.00 40.03 H new ATOM 0 HB2 TYR A 714 3.358 7.013 6.325 1.00 10.31 H new ATOM 0 HB3 TYR A 714 1.858 7.549 7.056 1.00 10.31 H new ATOM 0 HD1 TYR A 714 5.447 8.591 7.580 1.00 4.10 H new ATOM 0 HD2 TYR A 714 1.504 9.817 6.534 1.00 4.51 H new ATOM 0 HE1 TYR A 714 6.211 10.898 7.419 1.00 64.24 H new ATOM 0 HE2 TYR A 714 2.283 12.143 6.371 1.00 74.50 H new ATOM 0 HH TYR A 714 4.074 13.565 7.166 1.00 72.41 H new ATOM 1956 N ASN A 715 1.855 5.154 9.427 1.00 3.52 N ATOM 1957 CA ASN A 715 1.275 3.826 9.490 1.00 61.41 C ATOM 1958 C ASN A 715 -0.133 3.861 8.978 1.00 43.33 C ATOM 1959 O ASN A 715 -0.961 4.677 9.425 1.00 20.12 O ATOM 1960 CB ASN A 715 1.275 3.236 10.903 1.00 54.21 C ATOM 1961 CG ASN A 715 0.996 1.720 10.880 1.00 41.42 C ATOM 1962 OD1 ASN A 715 -0.140 1.287 10.887 1.00 54.41 O ATOM 1963 ND2 ASN A 715 2.035 0.918 10.878 1.00 43.50 N ATOM 0 H ASN A 715 1.540 5.804 10.147 1.00 3.52 H new ATOM 0 HA ASN A 715 1.900 3.185 8.868 1.00 61.41 H new ATOM 0 HB2 ASN A 715 2.239 3.423 11.377 1.00 54.21 H new ATOM 0 HB3 ASN A 715 0.520 3.737 11.508 1.00 54.21 H new ATOM 0 HD21 ASN A 715 1.899 -0.093 10.882 1.00 43.50 H new ATOM 0 HD22 ASN A 715 2.978 1.306 10.872 1.00 43.50 H new ATOM 1969 N PHE A 716 -0.408 3.004 8.048 1.00 22.35 N ATOM 1970 CA PHE A 716 -1.715 2.900 7.478 1.00 4.02 C ATOM 1971 C PHE A 716 -2.348 1.580 7.821 1.00 12.12 C ATOM 1972 O PHE A 716 -1.688 0.542 7.849 1.00 74.21 O ATOM 1973 CB PHE A 716 -1.689 3.137 5.973 1.00 64.43 C ATOM 1974 CG PHE A 716 -1.361 4.555 5.602 1.00 22.10 C ATOM 1975 CD1 PHE A 716 -0.051 4.984 5.500 1.00 64.20 C ATOM 1976 CD2 PHE A 716 -2.376 5.460 5.365 1.00 35.04 C ATOM 1977 CE1 PHE A 716 0.235 6.292 5.166 1.00 54.21 C ATOM 1978 CE2 PHE A 716 -2.094 6.765 5.033 1.00 33.21 C ATOM 1979 CZ PHE A 716 -0.787 7.179 4.934 1.00 41.51 C ATOM 0 H PHE A 716 0.272 2.351 7.659 1.00 22.35 H new ATOM 0 HA PHE A 716 -2.332 3.686 7.914 1.00 4.02 H new ATOM 0 HB2 PHE A 716 -0.955 2.471 5.520 1.00 64.43 H new ATOM 0 HB3 PHE A 716 -2.660 2.874 5.554 1.00 64.43 H new ATOM 0 HD1 PHE A 716 0.756 4.290 5.683 1.00 64.20 H new ATOM 0 HD2 PHE A 716 -3.405 5.140 5.441 1.00 35.04 H new ATOM 0 HE1 PHE A 716 1.262 6.618 5.087 1.00 54.21 H new ATOM 0 HE2 PHE A 716 -2.898 7.463 4.851 1.00 33.21 H new ATOM 0 HZ PHE A 716 -0.564 8.203 4.673 1.00 41.51 H new ATOM 1989 N ARG A 717 -3.610 1.638 8.086 1.00 32.34 N ATOM 1990 CA ARG A 717 -4.393 0.513 8.491 1.00 34.20 C ATOM 1991 C ARG A 717 -5.135 -0.002 7.252 1.00 62.12 C ATOM 1992 O ARG A 717 -6.055 0.631 6.774 1.00 75.24 O ATOM 1993 CB ARG A 717 -5.396 1.000 9.546 1.00 72.20 C ATOM 1994 CG ARG A 717 -6.089 -0.069 10.365 1.00 52.23 C ATOM 1995 CD ARG A 717 -5.113 -0.786 11.291 1.00 44.14 C ATOM 1996 NE ARG A 717 -5.790 -1.742 12.185 1.00 75.53 N ATOM 1997 CZ ARG A 717 -5.166 -2.523 13.090 1.00 73.20 C ATOM 1998 NH1 ARG A 717 -3.842 -2.458 13.237 1.00 31.45 N ATOM 1999 NH2 ARG A 717 -5.865 -3.360 13.841 1.00 72.23 N ATOM 0 H ARG A 717 -4.148 2.503 8.025 1.00 32.34 H new ATOM 0 HA ARG A 717 -3.781 -0.285 8.911 1.00 34.20 H new ATOM 0 HB2 ARG A 717 -4.874 1.669 10.230 1.00 72.20 H new ATOM 0 HB3 ARG A 717 -6.160 1.593 9.042 1.00 72.20 H new ATOM 0 HG2 ARG A 717 -6.886 0.383 10.955 1.00 52.23 H new ATOM 0 HG3 ARG A 717 -6.558 -0.793 9.698 1.00 52.23 H new ATOM 0 HD2 ARG A 717 -4.370 -1.314 10.693 1.00 44.14 H new ATOM 0 HD3 ARG A 717 -4.576 -0.050 11.889 1.00 44.14 H new ATOM 0 HE ARG A 717 -6.805 -1.819 12.114 1.00 75.53 H new ATOM 0 HH11 ARG A 717 -3.296 -1.815 12.663 1.00 31.45 H new ATOM 0 HH12 ARG A 717 -3.375 -3.051 13.923 1.00 31.45 H new ATOM 0 HH21 ARG A 717 -6.878 -3.415 13.736 1.00 72.23 H new ATOM 0 HH22 ARG A 717 -5.390 -3.950 14.525 1.00 72.23 H new ATOM 2011 N TRP A 718 -4.685 -1.093 6.718 1.00 22.55 N ATOM 2012 CA TRP A 718 -5.256 -1.671 5.507 1.00 3.41 C ATOM 2013 C TRP A 718 -6.034 -2.932 5.886 1.00 64.14 C ATOM 2014 O TRP A 718 -5.452 -3.901 6.357 1.00 64.23 O ATOM 2015 CB TRP A 718 -4.093 -2.017 4.529 1.00 15.42 C ATOM 2016 CG TRP A 718 -4.472 -2.506 3.142 1.00 51.22 C ATOM 2017 CD1 TRP A 718 -5.260 -3.574 2.834 1.00 32.21 C ATOM 2018 CD2 TRP A 718 -4.007 -1.983 1.869 1.00 72.23 C ATOM 2019 NE1 TRP A 718 -5.355 -3.722 1.471 1.00 24.40 N ATOM 2020 CE2 TRP A 718 -4.600 -2.771 0.860 1.00 14.13 C ATOM 2021 CE3 TRP A 718 -3.165 -0.914 1.476 1.00 62.13 C ATOM 2022 CZ2 TRP A 718 -4.385 -2.544 -0.491 1.00 0.12 C ATOM 2023 CZ3 TRP A 718 -2.958 -0.702 0.129 1.00 10.22 C ATOM 2024 CH2 TRP A 718 -3.566 -1.510 -0.835 1.00 64.54 C ATOM 0 H TRP A 718 -3.904 -1.625 7.101 1.00 22.55 H new ATOM 0 HA TRP A 718 -5.934 -0.970 5.021 1.00 3.41 H new ATOM 0 HB2 TRP A 718 -3.472 -1.128 4.415 1.00 15.42 H new ATOM 0 HB3 TRP A 718 -3.473 -2.781 4.998 1.00 15.42 H new ATOM 0 HD1 TRP A 718 -5.742 -4.214 3.559 1.00 32.21 H new ATOM 0 HE1 TRP A 718 -5.906 -4.434 0.992 1.00 24.40 H new ATOM 0 HE3 TRP A 718 -2.696 -0.280 2.214 1.00 62.13 H new ATOM 0 HZ2 TRP A 718 -4.850 -3.164 -1.243 1.00 0.12 H new ATOM 0 HZ3 TRP A 718 -2.313 0.105 -0.187 1.00 10.22 H new ATOM 0 HH2 TRP A 718 -3.382 -1.310 -1.880 1.00 64.54 H new ATOM 2035 N TYR A 719 -7.337 -2.904 5.713 1.00 42.14 N ATOM 2036 CA TYR A 719 -8.172 -4.066 6.020 1.00 55.43 C ATOM 2037 C TYR A 719 -8.490 -4.846 4.755 1.00 34.40 C ATOM 2038 O TYR A 719 -9.242 -4.375 3.901 1.00 54.33 O ATOM 2039 CB TYR A 719 -9.460 -3.651 6.736 1.00 33.23 C ATOM 2040 CG TYR A 719 -9.239 -3.028 8.095 1.00 32.23 C ATOM 2041 CD1 TYR A 719 -8.450 -3.664 9.037 1.00 30.52 C ATOM 2042 CD2 TYR A 719 -9.837 -1.829 8.448 1.00 11.12 C ATOM 2043 CE1 TYR A 719 -8.258 -3.138 10.284 1.00 30.22 C ATOM 2044 CE2 TYR A 719 -9.645 -1.285 9.705 1.00 51.33 C ATOM 2045 CZ TYR A 719 -8.853 -1.950 10.619 1.00 43.31 C ATOM 2046 OH TYR A 719 -8.656 -1.424 11.883 1.00 55.32 O ATOM 0 H TYR A 719 -7.850 -2.095 5.362 1.00 42.14 H new ATOM 0 HA TYR A 719 -7.609 -4.713 6.693 1.00 55.43 H new ATOM 0 HB2 TYR A 719 -10.000 -2.943 6.107 1.00 33.23 H new ATOM 0 HB3 TYR A 719 -10.098 -4.527 6.850 1.00 33.23 H new ATOM 0 HD1 TYR A 719 -7.974 -4.599 8.781 1.00 30.52 H new ATOM 0 HD2 TYR A 719 -10.461 -1.313 7.733 1.00 11.12 H new ATOM 0 HE1 TYR A 719 -7.640 -3.657 11.002 1.00 30.22 H new ATOM 0 HE2 TYR A 719 -10.111 -0.347 9.969 1.00 51.33 H new ATOM 0 HH TYR A 719 -9.143 -0.578 11.965 1.00 55.32 H new ATOM 2056 N THR A 720 -7.914 -6.024 4.629 1.00 1.42 N ATOM 2057 CA THR A 720 -8.065 -6.810 3.422 1.00 10.31 C ATOM 2058 C THR A 720 -8.370 -8.278 3.692 1.00 32.31 C ATOM 2059 O THR A 720 -7.868 -8.865 4.646 1.00 60.01 O ATOM 2060 CB THR A 720 -6.843 -6.686 2.473 1.00 70.13 C ATOM 2061 OG1 THR A 720 -7.044 -7.484 1.302 1.00 54.31 O ATOM 2062 CG2 THR A 720 -5.557 -7.113 3.143 1.00 14.31 C ATOM 0 H THR A 720 -7.336 -6.458 5.349 1.00 1.42 H new ATOM 0 HA THR A 720 -8.933 -6.382 2.921 1.00 10.31 H new ATOM 0 HB THR A 720 -6.755 -5.634 2.203 1.00 70.13 H new ATOM 0 HG1 THR A 720 -6.861 -6.945 0.504 1.00 54.31 H new ATOM 0 HG21 THR A 720 -4.729 -7.009 2.441 1.00 14.31 H new ATOM 0 HG22 THR A 720 -5.375 -6.484 4.015 1.00 14.31 H new ATOM 0 HG23 THR A 720 -5.638 -8.154 3.457 1.00 14.31 H new ATOM 2068 N SER A 721 -9.196 -8.861 2.837 1.00 71.53 N ATOM 2069 CA SER A 721 -9.512 -10.269 2.900 1.00 11.20 C ATOM 2070 C SER A 721 -8.248 -11.076 2.506 1.00 13.13 C ATOM 2071 O SER A 721 -8.067 -12.231 2.908 1.00 62.35 O ATOM 2072 CB SER A 721 -10.692 -10.577 1.948 1.00 12.41 C ATOM 2073 OG SER A 721 -11.124 -11.927 2.050 1.00 13.21 O ATOM 0 H SER A 721 -9.665 -8.364 2.079 1.00 71.53 H new ATOM 0 HA SER A 721 -9.812 -10.551 3.909 1.00 11.20 H new ATOM 0 HB2 SER A 721 -11.525 -9.912 2.177 1.00 12.41 H new ATOM 0 HB3 SER A 721 -10.392 -10.370 0.921 1.00 12.41 H new ATOM 0 HG SER A 721 -11.871 -12.079 1.434 1.00 13.21 H new ATOM 2079 N TYR A 722 -7.366 -10.431 1.732 1.00 50.30 N ATOM 2080 CA TYR A 722 -6.118 -11.039 1.252 1.00 41.52 C ATOM 2081 C TYR A 722 -5.087 -11.255 2.347 1.00 50.41 C ATOM 2082 O TYR A 722 -4.093 -11.908 2.120 1.00 4.21 O ATOM 2083 CB TYR A 722 -5.489 -10.224 0.130 1.00 3.12 C ATOM 2084 CG TYR A 722 -6.227 -10.255 -1.179 1.00 65.12 C ATOM 2085 CD1 TYR A 722 -7.230 -9.343 -1.463 1.00 32.42 C ATOM 2086 CD2 TYR A 722 -5.895 -11.191 -2.146 1.00 22.25 C ATOM 2087 CE1 TYR A 722 -7.882 -9.372 -2.677 1.00 12.23 C ATOM 2088 CE2 TYR A 722 -6.537 -11.219 -3.359 1.00 71.21 C ATOM 2089 CZ TYR A 722 -7.530 -10.310 -3.618 1.00 23.45 C ATOM 2090 OH TYR A 722 -8.175 -10.329 -4.829 1.00 1.33 O ATOM 0 H TYR A 722 -7.498 -9.469 1.420 1.00 50.30 H new ATOM 0 HA TYR A 722 -6.412 -12.019 0.875 1.00 41.52 H new ATOM 0 HB2 TYR A 722 -5.408 -9.188 0.458 1.00 3.12 H new ATOM 0 HB3 TYR A 722 -4.474 -10.587 -0.035 1.00 3.12 H new ATOM 0 HD1 TYR A 722 -7.504 -8.602 -0.726 1.00 32.42 H new ATOM 0 HD2 TYR A 722 -5.117 -11.911 -1.941 1.00 22.25 H new ATOM 0 HE1 TYR A 722 -8.667 -8.660 -2.888 1.00 12.23 H new ATOM 0 HE2 TYR A 722 -6.262 -11.951 -4.104 1.00 71.21 H new ATOM 0 HH TYR A 722 -7.810 -11.050 -5.383 1.00 1.33 H new ATOM 2100 N ALA A 723 -5.301 -10.697 3.521 1.00 3.44 N ATOM 2101 CA ALA A 723 -4.336 -10.884 4.595 1.00 63.30 C ATOM 2102 C ALA A 723 -4.522 -12.256 5.267 1.00 12.44 C ATOM 2103 O ALA A 723 -3.753 -12.642 6.152 1.00 51.15 O ATOM 2104 CB ALA A 723 -4.380 -9.737 5.586 1.00 14.45 C ATOM 0 H ALA A 723 -6.111 -10.124 3.757 1.00 3.44 H new ATOM 0 HA ALA A 723 -3.336 -10.876 4.161 1.00 63.30 H new ATOM 0 HB1 ALA A 723 -3.647 -9.909 6.374 1.00 14.45 H new ATOM 0 HB2 ALA A 723 -4.149 -8.804 5.073 1.00 14.45 H new ATOM 0 HB3 ALA A 723 -5.376 -9.673 6.024 1.00 14.45 H new ATOM 2110 N CYS A 724 -5.546 -12.969 4.834 1.00 43.11 N ATOM 2111 CA CYS A 724 -5.778 -14.341 5.239 1.00 71.22 C ATOM 2112 C CYS A 724 -5.435 -15.245 4.063 1.00 62.34 C ATOM 2113 O CYS A 724 -5.699 -14.876 2.918 1.00 23.21 O ATOM 2114 CB CYS A 724 -7.245 -14.583 5.635 1.00 13.15 C ATOM 2115 SG CYS A 724 -7.801 -13.770 7.164 1.00 23.22 S ATOM 0 H CYS A 724 -6.245 -12.607 4.186 1.00 43.11 H new ATOM 0 HA CYS A 724 -5.156 -14.555 6.108 1.00 71.22 H new ATOM 0 HB2 CYS A 724 -7.882 -14.248 4.816 1.00 13.15 H new ATOM 0 HB3 CYS A 724 -7.400 -15.657 5.741 1.00 13.15 H new ATOM 2120 N PRO A 725 -4.820 -16.415 4.302 1.00 2.41 N ATOM 2121 CA PRO A 725 -4.467 -17.348 3.238 1.00 14.24 C ATOM 2122 C PRO A 725 -5.685 -18.116 2.728 1.00 63.20 C ATOM 2123 O PRO A 725 -6.213 -17.776 1.639 1.00 38.14 O ATOM 2124 CB PRO A 725 -3.449 -18.304 3.896 1.00 74.34 C ATOM 2125 CG PRO A 725 -3.203 -17.747 5.266 1.00 52.12 C ATOM 2126 CD PRO A 725 -4.404 -16.924 5.611 1.00 34.53 C ATOM 2127 OXT PRO A 725 -6.112 -19.092 3.392 1.00 38.14 O ATOM 0 HA PRO A 725 -4.063 -16.836 2.365 1.00 14.24 H new ATOM 0 HB2 PRO A 725 -3.842 -19.319 3.950 1.00 74.34 H new ATOM 0 HB3 PRO A 725 -2.525 -18.350 3.320 1.00 74.34 H new ATOM 0 HG2 PRO A 725 -3.060 -18.548 5.991 1.00 52.12 H new ATOM 0 HG3 PRO A 725 -2.298 -17.139 5.281 1.00 52.12 H new ATOM 0 HD2 PRO A 725 -5.185 -17.521 6.082 1.00 34.53 H new ATOM 0 HD3 PRO A 725 -4.159 -16.117 6.302 1.00 34.53 H new